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Arunan, Elangannan ; Desiraju, Gautam R. ; Klein, Roger A. ; Sadlej, Joanna ; Scheiner, Steve ; Alkorta, Ibon ; Clary, David C. ; Crabtree, Robert H. ; Dannenberg, Joseph J. ; Hobza, Pavel ; Kjaergaard, Henrik G. ; Legon, Anthony C. ; Mennucci, Benedetta ; Nesbitt, David J. (2011) Defining the hydrogen bond: an account IUPAC Technical Report, 83 (8). pp. 1619-1636. ISSN 0033-4545

Varughese, Sunil ; Kiran, M. S. R. N. ; Solanko, Katarzyna A. ; Bond, Andrew D. ; Ramamurty, U. ; Desiraju, Gautam R. (2011) Interaction anisotropy and shear instability of aspirin polymorphs established by nanoindentation Chemical Science . ISSN 1478-6524

Kiran, M. S. R. N. ; Varughese, Sunil ; Malla Reddy, C. ; Ramamurty, U. ; Desiraju, Gautam R. (2010) Mechanical anisotropy in crystalline saccharin: nanoindentation studies Crystal Growth & Design, 10 (10). pp. 4650-4655. ISSN 1528-7483

Thakur, Tejender S. ; Kirchner, Michael T. ; Blaser, Dieter ; Boese, Roland ; Desiraju, Gautam R. (2010) C-H···F-C hydrogen bonding in 1,2,3,5-tetrafluorobenzene and other fluoroaromatic compounds and the crystal structure of alloxan revisited CrystEngComm, 12 (7). pp. 2079-2085. ISSN 1466-8033

Ganguly, P. ; Desiraju, Gautam R. (2010) Long-range synthon aufbau modules (lsam) in crystal structures: systematic changes in C₆H_6-nF_n (0 ≤ n ≤ 6) fluorobenzenes CrystEngComm . pp. 817-833. ISSN 1466-8033

Gupta, Rajesh Kumar ; Thakur, Tejender S. ; Desiraju, Gautam R. ; Tyagi, Jaya Sivaswami (2009) Structure-based design of devr inhibitor active against nonreplicating mycobacterium tuberculosis Journal of Medicinal Chemistry, 52 (20). pp. 6324-6334. ISSN 0022-2623

Day, G. M. ; Cooper, T. G. ; Cruz-Cabeza, A. J. ; Hejczyk, K. E. ; Ammon, H. L. ; Boerrigter, S. X. M. ; Tan, J. S. ; Della Valle, R. G. ; Venuti, E. ; Jose, J. ; Gadre, Shridhar R. ; Desiraju, Gautam R. ; Thakur, T. S. ; van Eijck, B. P. ; Facelli, J. C. ; Bazterra, V. E. ; Ferraro, M. B. ; Hofmann, D. W. M. ; Neumann, M. A. ; Leusen, F. J. J. ; Kendrick, J. ; Price, S. L. ; Misquitta, A. J. ; Karamertzanis, P. G. ; Welch, G. W. A. ; Scheraga, H. A. ; Arnautova, Y. A. ; Schmidt, M. U. ; van de Streek, J. ; Wolf, A. K. ; Schweizer, B. (2009) Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test Acta Crystallogr B, 65 (2). pp. 107-125. ISSN 0108-7681

Kirchner, Michael T. ; Blaser, Dieter ; Boese, Roland ; Desiraju, Gautam R. (2009) Additive induced polymorphism. The pentafluorophenol-pentafluoroaniline system CrystEngComm, 11 (2). pp. 229-231. ISSN 1466-8033

Bhatt, Prashant M. ; Azim, Yasser ; Thakur, Tejender S. ; Desiraju, Gautam R. (2009) Co-crystals of the anti-HIV drugs lamivudine and zidovudine Crystal Growth & Design, 9 (2). pp. 951-957. ISSN 1528-7483

Thakur, Tejender S. ; Desiraju, Gautam R. (2008) Crystal structure prediction of a co-crystal using a supramolecular synthon approach: 2-methylbenzoic acid-2-amino-4-methylpyrimidine Crystal Growth & Design, 8 (11). pp. 4031-4044. ISSN 1528-7483

Ganguly, Parthasarathy ; Desiraju, Gautam R. (2008) Van der waals and polar intermolecular contact distances: quantifying supramolecular synthons Chemistry - An Asian Journal, 3 (5). pp. 868-880. ISSN 1861-4728

Desiraju, Gautam R. (2008) Polymorphism: the same and not quite the same Crystal Growth & Design, 8 (1). pp. 3-5. ISSN 1528-7483

Bhatt, Prashant M. ; Desiraju, Gautam R. (2008) Co-crystal formation and the determination of absolute configuration CrystEngComm, 10 (12). pp. 1747-1749. ISSN 1466-8033

Bhatt, Prashant M. ; Desiraju, Gautam R. (2007) Crystal structure of Na₄Li₄(saccharinate)₈·14H₂O and its comparison with other alkali metal saccharinates Journal of Molecular Structure, 871 (1-3). pp. 73-79. ISSN 0022-2860

Desiraju, Gautam R. (2007) Crystal engineering: a holistic view Angewandte Chemie International Edition, 46 (44). pp. 8342-8356. ISSN 1433-7851

Aparna, V. ; Desiraju, G. R. ; Gopalakrishnan, B. (2007) Insights into ligand selectivity in nitric oxide synthase isoforms: a molecular dynamics study Journal of Molecular Graphics and Modelling, 26 (2). pp. 457-470. ISSN 1093-3263

Desiraju, Gautam R. (2007) Chemistry: the middle kingdom Resonance - Journal of Science Education, 12 (7). pp. 44-60. ISSN 0971-8044

Thakur, Tejender S. ; Desiraju, Gautam R. (2007) Theoretical investigation of C-H···M interactions in organometallic complexes: a natural bond orbital (NBO) study Journal of Molecular Structure: Theochem, 810 (1-3). pp. 143-154. ISSN 0166-1280

Panigrahi, Sunil K. ; Desiraju, Gautam R. (2007) Strong and weak hydrogen bonds in the protein-ligand interface Proteins: Structure, Function, and Bioinformatics, 67 (1). pp. 128-141. ISSN 0887-3585

Bhatt, P. M. ; Desiraju, G. R. (2007) 5,5-dibenzylbarbituric acid monohydrate Acta Crystallographica Section E: Structure Reports Online, 63 . o771-o772. ISSN 1600-5368

Ghosh, S. ; Reddy, C. M. ; Desiraju, G. R. (2007) Hexaiodobenzene: a redetermination at 100 k Acta Crystallographica Section E: Structure Reports Online, 63 . o910-o911. ISSN 1600-5368

Bond, Andrew D. ; Boese, Roland ; Desiraju, Gautam R. (2007) On the polymorphism of aspirin Angewandte Chemie International Edition, 46 (4). pp. 615-617. ISSN 1433-7851

Desiraju, Gautam R. (2007) On the presence of multiple molecules in the crystal asymmetric unit (Z'> 1) CrystEngComm, 9 (1). pp. 91-92. ISSN 1466-8033

Panigrahi, Sunil K. ; Desiraju, Gautam R. (2007) Strong and weak hydrogen bonds in drug-DNA complexes: a statistical analysis Journal of Biosciences, 32 (4). pp. 677-691. ISSN 0250-5991

Bhatt, Prashant M. ; Desiraju, Gautam R. (2007) Tautomeric polymorphism in omeprazole Chemical Communications (20). pp. 2057-2059. ISSN 1359-7345

Mondal, Raju ; Howard, Judith A. K. ; Banerjee, Rahul ; Desiraju, Gautam R. (2006) Crystallographic studies of supramolecular synthons in amine solvates of trans-1,5-dichloro-9,10-diethynyl-9,10- dihydroanthracene-9,10-diol Crystal Growth & Design, 6 (11). pp. 2507-2516. ISSN 1528-7483

Das, Dinabandhu ; Desiraju, Gautam R. (2006) Packing modes in some mono- and disubstituted phenylpropiolic acids: repeated occurrence of the rare syn,anti catemer Chemistry: An Asian Journal, 1 (1-2). pp. 231-244. ISSN 1861-4728

Sai Ram, K. V. V. M. ; Rambabu, G. ; Sarma, J. A. R. P. ; Desiraju, G. R. (2006) Ligand coordinate analysis of SC-558 from the active site to the surface of COX-2: a molecular dynamics study Journal of Chemical Information and Modeling, 46 (4). pp. 1784-1794. ISSN 1549-9596

Banerjee, Rahul ; Bhatt, Prashant M. ; Desiraju, Gautam R. (2006) Solvates of sildenafil saccharinate. A new host material Crystal Growth & Design, 6 (6). pp. 1468-1478. ISSN 1528-7483

Saha, B. K. ; Banerjee, R. ; Nangia, A. ; Desiraju, G. R. (2006) A 1:1 molecular complex of 4-methylpyridine N-oxide and saccharin Acta Crystallographica Section E: Structure Reports Online, 62 . o2283-o2284. ISSN 1600-5368

Bhatt, P. M. ; Desiraju, G. R. (2006) Form I of desloratadine, a tricyclic antihistamine Acta Crystallographica Section C: Crystal Structure Communications, 62 . o362-o363. ISSN 0108-2701

Banerjee, R. ; Saha, B. K. ; Desiraju, G. R. (2006) Solid-state architecture of saccharin salts of some diamines Acta Crystallographica Section C: Crystal Structure Communications, 62 . o346-o349. ISSN 0108-2701

Banerjee, Rahul ; Mondal, Raju ; Howard, Judith A. K. ; Desiraju, Gautam R. (2006) Synthon robustness and solid-state architecture in substituted gem-alkynols Crystal Growth & Design, 6 (4). pp. 999-1009. ISSN 1528-7483

Malla Reddy, C. ; Kirchner, Michael T. ; Gundakaram, Ravi C. ; Anantha Padmanabhan, K. ; Desiraju, Gautam R. (2006) Isostructurality, polymorphism and mechanical properties of some hexahalogenated benzenes: the nature of halogen···halogen interactions Chemistry - A European Journal, 12 (8). pp. 2222-2234. ISSN 0947-6539

Aparna, V. ; Jeevan, J. ; Ravi, M. ; Desiraju, G. R. ; Gopalakrishnan, B. (2006) 3D-QSAR studies on antitubercular thymidine monophosphate kinase inhibitors based on different alignment methods Bioorganic & Medicinal Chemistry Letters, 16 (4). pp. 1014-1020. ISSN 0960-894X

Munshi, P. ; Thakur, T. S. ; Guru Row, T. N. ; Desiraju, Gautam Radhakrishna (2006) Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study Acta Crystallographica Section B: Structural Science, 62 . pp. 118-127. ISSN 0108-7681

Dey, Archan ; Pati, Narendra Nath ; Desiraju, Gautam R. (2006) Crystal structure prediction with the supramolecular synthon approach: experimental structures of 2-amino-4-ethylphenol and 3-amino-2-naphthol and comparison with prediction CrystEngComm, 8 (10). pp. 751-755. ISSN 1466-8033

Dey, Archan ; Desiraju, Gautam R. (2006) Dimorphs of 4'-amino-4-hydroxy-2'-methylbiphenyl: assessment of likelihood of polymorphism in flexible molecules CrystEngComm, 8 (6). pp. 478-482. ISSN 1466-8033

Das, Dinabandhu ; Desiraju, Gautam R. (2006) Effects of the substituent on the formation of dimers and catemers in phenylpyruvic acids CrystEngComm, 8 . pp. 674-679. ISSN 1466-8033

Thakur, Tejender S. ; Desiraju, Gautam R. (2006) Misassigned C-H...Cu agostic interaction in a copper(II) ephedrine derivative is actually a weak, multicentred hydrogen bond Chemical Communications (5). pp. 552-554. ISSN 1359-7345

Reddy, C. Malla ; Padmanabhan, K. Anantha ; Desiraju, Gautam R. (2006) Structure-property correlations in bending and brittle organic crystals Crystal Growth & Design, 6 (12). pp. 2720-2731. ISSN 1528-7483

Das, Dinabandhu ; Banerjee, Rahul ; Mondal, Raju ; Howard, Judith A. K. ; Boese, Roland ; Desiraju, Gautam R. (2006) Synthon evolution and unit cell evolution during crystallisation. A study of symmetry-independent molecules (z' > 1) in crystals of some hydroxy compounds Chemical Communications (5). pp. 555-557. ISSN 1359-7345

Desiraju, Gautam R. ; Banerjee, Rahul ; Saha, Binoy K. (2006) Synthon robustness in saccharinate salts of some substituted pyridines CrystEngComm, 8 (9). pp. 680-685. ISSN 1466-8033

Banerjee, Rahul ; Bhatt, Prashant M. ; Ravindra, Nittala V. ; Desiraju, Gautam R. (2005) Saccharin salts of active pharmaceutical ingredients, their crystal structures, and increased water solubilities Crystal Growth & Design, 5 (6). pp. 2299-2309. ISSN 1528-7483

Dey, Archan ; Kirchner, Michael T. ; Vangala, Venu R. ; Desiraju, Gautam R. ; Mondal, Raju ; Howard, Judith A. K. (2005) Crystal structure prediction of aminols: advantages of a supramolecular synthon approach with experimental structures Journal of the American Chemical Society, 127 (30). pp. 10545-10559. ISSN 0002-7863

Gopalakrishnan, B. ; Aparna, V. ; Jeevan, J. ; Ravi, M. ; Desiraju, G. R. (2005) A virtual screening approach for thymidine monophosphate kinase inhibitors as antitubercular agents based on docking and pharmacophore models Journal of Chemical Information and Modeling, 45 (4). pp. 1101-1108. ISSN 1549-9596

Das, D. ; Desiraju, G. R. ; Jetti, R. K. R. ; Boese, R. (2005) A rare syn-anti catemer in 4-nitrophenylpropiolic acid Acta Crystallographica Section E: Structure Reports Online, 61 . o1588-o1589. ISSN 1600-5368

Aparna, V. ; Rambabu, G. ; Panigrahi, S. K. ; Sarma, J. A. R. P. ; Desiraju, G. R. (2005) Virtual screening of 4-anilinoquinazoline analogues as EGFR kinase inhibitors: importance of hydrogen bonds in the evaluation of poses and scoring functions Journal of Chemical Information and Modeling, 45 (3). pp. 725-738. ISSN 1549-9596

Banerjee, Rahul ; Bhatt, Prashant M. ; Kirchner, Michael T. ; Desiraju, Gautam R. (2005) Structural studies of the system Na(saccharinate)·nH₂O: a model for crystallization Angewandte Chemie International Edition, 44 (17). pp. 2515-2520. ISSN 1433-7851

Basavoju, S. ; Reddy, C. M. ; Desiraju, G. R. (2005) 2-(methylsulfanyl)nicotinic acid Acta Crystallographica Section E: Structure Reports Online, 61 . o822-o823. ISSN 1600-5368

Vangala, Venu R. ; Mondal, Raju ; Broder, Charlotte K. ; Howard, Judith A. K. ; Desiraju, Gautam Radhakrishna (2005) Dianiline-diphenol molecular complexes based on supraminol recognition Crystal Growth & Design, 5 (1). pp. 99-104. ISSN 1528-7483

Desiraju, Gautam R. (2005) C-H···O and other weak hydrogen bonds. From crystal engineering to virtual screening Chemical Communications (24). pp. 2995-3001. ISSN 1359-7345

Dey, Archan ; Desiraju, Gautam R. (2005) Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers Chemical Communications (19). pp. 2486-2488. ISSN 1359-7345

Bhatt, Prashant M. ; Ravindra, Nittala V. ; Banerjee, Rahul ; Desiraju, Gautam R. (2005) Saccharin as a salt former. Enhanced solubilities of saccharinates of active pharmaceutical ingredients Chemical Communications (8). pp. 1073-1075. ISSN 1359-7345

Reddy, C. Malla ; Basavoju, Srinivas ; Desiraju, Gautam R. (2005) Sorting of polymorphs based on mechanical properties. Trimorphs of 6-chloro-2,4-dinitroaniline Chemical Communications (19). pp. 2439-2441. ISSN 1359-7345

Reddy, C. Malla ; Gundakaram, Ravi C. ; Basavoju, Srinivas ; Kirchner, Michael T. ; Padmanabhan, K. Anantha ; Desiraju, Gautam R. (2005) Structural basis for bending of organic crystals Chemical Communications (31). pp. 3945-3947. ISSN 1359-7345

Banerjee, Rahul ; Desiraju, Gautam R. ; Mondal, Raju ; Howard, Judith A. K. (2004) Organic chlorine as a hydrogen-bridge acceptor: evidence for the existence of intramolecular OH…ClC interactions in some gem-alkynols Chemistry: A European Journal, 10 (14). pp. 3373-3383. ISSN 0947-6539

Kirchner, Michael T. ; Reddy, L. Sreenivas ; Desiraju, Gautam R. ; Jetti, Ram K. R. ; Boese, Roland (2004) Structural variations and polymorphism of some derivatives of 6-amino-2-phenylsulfonylimino- 1,2-dihydropyridine Crystal Growth & Design, 4 (4). pp. 701-709. ISSN 1528-7483

Dey, Archan ; Desiraju, Gautam R. ; Mondal, Raju ; Howard, Judith A. K. (2004) A 1:1 molecular complex of 4-amino cyclo hexanol and (4-hydroxy cyclo­hexyl) carbamic acid Acta Crystallographica Section E: Structure Reports Online, 60 (5). o857-o859. ISSN 1600-5368

Sarkhel, Sanjay ; Desiraju, Gautam R. (2004) N-H···O, O-H···O, and C-H···O hydrogen bonds in protein-ligand complexes: strong and weak interactions in molecular recognition Proteins: Structure, Function, and Bioinformatics, 54 (2). pp. 247-259. ISSN 0887-3585

Desiraju, Gautam R. (2004) Counterpoint: what's in a name? Crystal Growth & Design, 4 (6). pp. 1089-1090. ISSN 1528-7483

Dey, Archan ; Desiraju, Gautam R. ; Mondal, Raju ; Howard, Judith A. K. (2004) Crystal engineering in the aminophenols. Novel carborundum network in a supramolecular homologous series Chemical Communications (22). pp. 2528-2529. ISSN 1359-7345

Mondal, Raju ; Howard, Judith A. K. ; Banerjee, Rahul ; Desiraju, Gautam R. (2004) Gauche and staggered forms of diethylamine in solvates of 1,5-dichloro-cis-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol. A case of conformational pseudopolymorphism? Chemical Communications (6). pp. 644-645. ISSN 1359-7345

Basavoju, Srinivas ; Aitipamula, Srinivasulu ; Desiraju, Gautam R. (2004) Host-guest and network structures of some tetraphenylmethane derivatives CrystEngComm, 6 (25). pp. 120-125. ISSN 1466-8033

Thallapally, Praveen K. ; Jetti, Ram K. R. ; Katz, Amy K. ; Carrell, H. L. ; Singh, Kuldeep ; Lahiri, Kakali ; Kotha, Sambasivarao ; Boese, Roland ; Desiraju, Gautam R. (2004) Polymorphism of 1,3,5-Trinitrobenzene induced by a Trisindane additive Angewandte Chemie International Edition, 43 (9). pp. 1149-1155. ISSN 1433-7851

Jetti, Ram K. R. ; Boese, Roland ; Thakur, Tejender S. ; Vangala, Venu R. ; Desiraju, Gautam R. (2004) Proton transfer and N⁽⁺⁾-H···S^(-) hydrogen bonds in the crystal structure of 4-aminothiophenol Chemical Communications . pp. 2526-2527. ISSN 1359-7345

Dey, Archan ; Desiraju, Gautam R. (2004) Supramolecular equivalence of ethynyl, chloro, bromo and iodo groups. A comparison of the crystal structures of some 4-phenoxyanilines CrystEngComm, 6 (104). pp. 642-646. ISSN 1466-8033

Bhogala, Balakrishna R. ; Vangala, Venu R. ; Smith, Philip S. ; Howard, Judith A. K. ; Desiraju, Gautam R. (2004) A novel saturated hydrogen bridge architecture in supraminols Crystal Growth & Design, 4 (4). pp. 647-649. ISSN 1528-7483

Vangala, Venu R. ; Bhogala, Balakrishna R. ; Dey, Archan ; Desiraju, Gautam R. ; Broder, Charlotte K. ; Smith, Philip S. ; Mondal, Raju ; Howard, Judith A. K. ; Wilson, Chick C. (2003) Correspondence between molecular functionality and crystal structures. Supramolecular chemistry of a family of homologated aminophenols Journal of the American Chemical Society, 125 (47). pp. 14495-14509. ISSN 0002-7863

Jetti, Ram K. R. ; Boese, Roland ; Thallapally, Praveen K. ; Desiraju, Gautam R. (2003) Five new pseudopolymorphs of sym-trinitrobenzene Crystal Growth & Design, 3 (6). pp. 1033-1040. ISSN 1528-7483

Vema, Aparna ; Panigrahi, Sunil K. ; Rambabu, G. ; Gopalakrishnan, B. ; Sarma, J. A. R. P. ; Desiraju, Gautam R. (2003) Design of EGFR kinase inhibitors: a ligand-based approach and its confirmation with structure-based studies Bioorganic & Medicinal Chemistry, 11 (21). pp. 4643-4653. ISSN 0968-0896

Zyss, Joseph ; Ledoux-Rak, Isabelle ; Weiss, Hans-Christoph ; Blaser, Dieter ; Boese, Roland ; Thallapally, Praveen K. ; Thalladi, Venkat R. ; Desiraju, Gautam R. (2003) Coupling octupoles in crystals: the case of the 1,3,5-trinitrobenzene-triphenylene 1:1 molecular co-crystal Chemistry of Materials, 15 (16). pp. 3063-3073. ISSN 0897-4756

Desiraju, Gautam R. (2003) Crystal engineering. From molecules to materials Journal of Molecular Structure, 656 (1-3). pp. 5-15. ISSN 0022-2860

Banerjee, Rahul ; Desiraju, Gautam R. ; Mondal, Raju ; Batsanov, Andrei S. ; Broder, Charlotte K. ; Howard, Judith A. K. (2003) Dilemmas in crystallization. the "unusual' behavior of trans-1,5-dichloro-9,10-diethynyl-9,10-dihydroanthracene-9,10-diol and the more "normal' behavior of its pseudopolymorphs with dipolar aprotic solvents Helvetica Chimica Acta, 86 (5). pp. 1339-1351. ISSN 0018-019X

Jetti, Ram K. R. ; Boese, Roland ; Sarma, Jagarlapudi A. R. P. ; Reddy, L. Sreenivas ; Vishweshwar, Peddy ; Desiraju, Gautam R. (2003) Searching for a polymorph: second crystal form of 6-amino-2-phenylsulfonylimino-1,2-dihydropyridine Angewandte Chemie International Edition, 42 (17). pp. 1963-1967. ISSN 1433-7851

Sairam, Kalapatapu ; Sarma, Jagarlapudi ; Desiraju, Gautam R. (2003) 3d-qsar studies of some [[1-aryl(or benzyl)-1-(benzenesulphonamido)methyl] phenyl] alkanoic acid derivatives as thromboxane a₂ receptor antagonists Drug Design and Discovery, 18 (2-3). pp. 47-51. ISSN 1055-9612

Thallapally, Praveen K. ; Katz, A. K. ; Carrell, H. L. ; Desiraju, Gautam R. (2003) C-H···O hydrogen bonds in molecular complexes of 1,3,5-trinitrobenzene with some N-heterocycles CrystEngComm, 5 (18). pp. 87-92. ISSN 1466-8033

Desiraju, Gautam R. (2003) Crystal and co-crystal CrystEngComm, 5 (82). pp. 466-467. ISSN 1466-8033

Aitipamula, Srinivasulu ; Desiraju, Gautam R. ; Jaskolski, Mariusz ; Nangia, Ashwini ; Thaimattam, Ram (2003) Multiple molecules in the crystallographic asymmetric unit. Self host-guest and doubly interpenetrated hydrogen bond networks in a pair of keto-bisphenols CrystEngComm, 5 (78). pp. 447-450. ISSN 1466-8033

Das, Dinabandhu ; Jetti, Ram K. R. ; Boese, Roland ; Desiraju, Gautam R. (2003) Stereoelectronic effects of substituent groups in the solid state. Crystal chemistry of some cubanecarboxylic and phenylpropiolic acids Crystal Growth & Design, 3 (5). pp. 675-681. ISSN 1528-7483

Dey, Archan ; Jetti, Ram K. R. ; Boese, Roland ; Desiraju, Gautam R. (2003) Supramolecular equivalence of halogen, ethynyl and hydroxy groups. A comparison of the crystal structures of some 4-substituted anilines CrystEngComm, 5 (43). pp. 248-252. ISSN 1466-8033

Desiraju, Gautam R. ; Gopalakrishnan, B. ; Jetti, R. K. R. ; Nagaraju, A. ; Raveendra, D. ; Sarma, J. A. R. P. ; Sobhia, M. E. ; Thilagavathi, R. (2002) Computer-aided design of selective cox-2 inhibitors: comparative molecular field analysis, comparative molecular similarity indices analysis, and docking studies of some 1,2-diarylimidazole derivatives Journal of Medicinal Chemistry, 45 (22). pp. 4847-4857. ISSN 0022-2623

Vangala, V. R. ; Desiraju, G. R. ; Jetti, R. K. R. ; Blaser, D. ; Boese, R. (2002) A 1:1 molecular complex of bis(4-aminophenyl) disulfide and 4-aminothiophenol Acta Crystallographica Section C: Crystal Structure Communications, 58 . o635-o636. ISSN 0108-2701

Kumar, V. S. Senthil ; Kuduva, S. S. ; Desiraju, G. R. (2002) 3,5-dinitrosalicylic acid-phenazine (1/1) Acta Crystallographica Section E: Structure Reports Online, 58 . o865-o866. ISSN 1600-5368

Boese, Roland ; Desiraju, Gautam R. ; Jetti, Ram K. R. ; Kirchner, Michael T. ; Ledoux, Isabelle ; Thalladi, Venkat R. ; Zyss, Joseph (2002) Crystal structures and packing of 2,4,6-tris(4-fluorophenoxy)-1,3,5-triazine and 2,4,6-tris(3,4-dimethylphenoxy)-1,3,5-triazine. new materials for octupolar nonlinear optics Structural Chemistry, 13 (3-4). pp. 321-328. ISSN 1040-0400

Aitipamula, Srinivasulu ; Thallapally, Praveen K. ; Thaimattam, Ram ; Jaskolski, Mariusz ; Desiraju, Gautam R. (2002) Topological equivalences between organic and coordination polymer crystal structures: an organic ladder formed with three-connected molecular and supramolecular synthons Organic Letters, 4 (6). pp. 921-924. ISSN 1523-7060

Desiraju, Gautam R. ; Sarma, J. A. R. P. (2002) The supramolecular synthon approach to crystal structure prediction Crystal Growth & Design, 2 (2). pp. 93-100. ISSN 1528-7483

Thallapally, Praveen K. ; Desiraju, Gautam R. ; Bagieu-Beucher, Muriel ; Masse, Rene ; Bourgogne, Cyril ; Nicoud, Jean-Francois (2002) 1,3-dibromo-2,4,6-trinitrobenzene (DBTNB). Crystal engineering and perfect polar alignment of two-dimensional hyperpolarizable chromophores Chemical Communications (10). pp. 1052-1053. ISSN 1359-7345

Desiraju, Gautam R. (2002) Cryptic crystallography Nature Materials, 1 . pp. 77-79. ISSN 1476-1122

Desiraju, Gautam R. (2002) Hydrogen bridges in crystal engineering: interactions without borders Accounts of Chemical Research, 35 (7). pp. 565-573. ISSN 0001-4842

Desiraju, Gautam R. ; Braga, Dario ; Miller, Joel S. ; Orpen, A. Guy ; Price, Sarah (Sally) L. (2002) Innovation in crystal engineering CrystEngComm, 4 (83). pp. 500-509. ISSN 1466-8033

Vishweshwar, Peddy ; Thaimattam, Ram ; Jaskolski, Mariusz ; Desiraju, Gautam R. (2002) Supramolecular synthons based on N-H...N and C-H...O hydrogen bonds. Crystal engineering of a helical structure with 5,5-diethylbarbituric acid Chemical Communications (17). pp. 1830-1831. ISSN 1359-7345

Thallapally, Praveen K. ; Katz, Amy K. ; Carrell, H. L. ; Desiraju, Gautam R. (2002) Unusually long cooperative chain of seven hydrogen bonds. An alternative packing type for symmetrical phenols Chemical Communications (4). pp. 344-345. ISSN 1359-7345

Desiraju, Gautam R. (2001) Chemistry beyond the molecule Nature, 412 . pp. 397-400. ISSN 0028-0836

Desiraju, G. R. ; Sarma, J. A. R. P. ; Raveendra, D. ; Gopalakrishnan, B. ; Thilagavathi, R. ; Sobhia, M. E. ; Subramanya, H. S. (2001) Computer-aided design of selective cox-2 inhibitors: comparative molecular field analysis and docking studies of some 3,4-diaryloxazolone derivatives Journal of Physical Organic Chemistry, 14 (7). pp. 481-487. ISSN 0894-3230

Kuduva, Srinivasan S. ; Blaser, Dieter ; Boese, Roland ; Desiraju, Gautam R. (2001) Crystal engineering of primary cubanecarboxamides. Repetitive formation of an unexpected N-H···O hydrogen-bonded network Journal of Organic Chemistry, 66 (5). pp. 1621-1626. ISSN 0022-3263

Muthuraman, Meiyappan ; Nicoud, Jean-Francois ; Masse, Rene ; Desiraju, Gautam R. (2001) Nonlinear optical crystals designed with 4-nitrophenolate chromophores: an engineering route using a multidipolar chromophore, 3-hydroxy-2,4,6-trinitrophenolate Molecular Crystals and Liquid Crystals, 356 . pp. 1-13. ISSN 1542-1406

Anthony, Addlagatta ; Desiraju, Gautam R. (2001) Crystallization of pseudopolymorphs of some gamboge pigments. Pyridine, dimethylformamide and dimethylsulfoxide solvates of morellic acid, gambogic acid and guttiferic acid Supramolecular Chemistry, 13 (1). pp. 11-23. ISSN 1061-0278

Varma, A. K. ; Nangia, A. ; Desiraju, G. R. ; Giri, V. S. ; Jaisankar, P. (2001) Hydrogen bonding in two tetracyclic indole alkaloids Acta Crystallographica Section C: Crystal Structure Communications, 57 . pp. 97-99. ISSN 0108-2701

Kuduva, Srinivasan S. ; Blaser, Dieter ; Boese, Roland ; Desiraju, Gautam R. (2001) Crystal structures and packing of 4-cyanocubanecarboxylic acid, its methyl ester, and the solid solution of 1,4-dicyanocubane and 1,4-dibromocubane Structural Chemistry, 12 (3-4). pp. 259-266. ISSN 1040-0400

Thaimattam, Ram ; Xue, Feng ; Sarma, Jagarlapudi A. R. P. ; Mak, Thomas C. W. ; Desiraju, Gautam R. (2001) Inclusion compounds of tetrakis(4-nitrophenyl)methane: C-H···O networks, pseudopolymorphism, and structural transformations Journal of the American Chemical Society, 123 (19). pp. 4432-4445. ISSN 0002-7863

Thallapally, Praveen K. ; Chakraborty, Kakali ; Katz, Amy K. ; Carrell, H. L. ; Kotha, Sambasivarao ; Desiraju, Gautam R. (2001) Matching of molecular and supramolecular symmetry. An exercise in crystal engineering CrystEngComm, 3 (31). pp. 134-136. ISSN 1466-8033

Muthuraman, Meiyappan ; Masse, Rene ; Nicoud, Jean-Francois ; Desiraju, Gautam R. (2001) Molecular complexation as a design tool in the crystal engineering of noncentrosymmetric structures. Ideal orientation of chromophores linked by O-H···O and C-H···O hydrogen bonds for nonlinear optics Chemistry of Materials, 13 (5). pp. 1473-1479. ISSN 0897-4756

Bilton, C. ; Howard, J. A. K. ; Madhavi, N. N. L. ; Nangia, A. ; Desiraju, G. R. ; Allen, F. H. ; Wilson, C. C. (2000) Crystal engineering in the gem-alkynol family; synthon repetitivity and topological similarity in diphenylethynylmethanols: structures that lack O-H …O hydrogen bonds Acta Crystallographica Section B: Structural Science, 56 . pp. 1071-1079. ISSN 0108-7681

Broder, C. K. ; Howard, J. A. K. ; Keen, D. A. ; Wilson, C. C. ; Allen, F. H. ; Jetti, R. K. R. ; Nangia, A. ; Desiraju, G. R. (2000) Halogen trimer synthons in crystal engineering: low-temperature x-ray and neutron diffraction study of the 1:1 complex of 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine with tribromobenzene Acta Crystallographica Section B: Structural Science, 56 . pp. 1080-1084. ISSN 0108-7681

Madhavi, N. N. L. ; Desiraju, G. R. ; Bilton, C. ; Howard, J. A. K. ; Allen, F. H. (2000) Racemic 1,2-diphenylbut-3-yn-2-ol Acta Crystallographica Section C: Crystal Structure Communications, 56 . pp. 1359-1360. ISSN 0108-2701

Thallapally, K. Praveen ; Chakraborty, Kakali ; Carrell, H. L. ; Kotha, Sambasivarao ; Desiraju, Gautam R. (2000) Shape and size effects in the crystal structures of complexes of 1,3,5-trinitrobenzene with some trigonal donors: the benzene-thiophene exchange rule Tetrahedron, 56 (36). pp. 6721-6728. ISSN 0040-4020

Muthuraman, M. ; Nicoud, J. F. ; Masse, R. ; Desiraju, G. R. (2000) Benzyltriphenylphosphonium glutaconaldehyde Acta Crystallographica Section C: Crystal Structure Communications, 56 . pp. 986-988. ISSN 0108-2701

Muthuraman, Meiyappan ; Fur, Yvette Le ; Bagieu-Beucher, Muriel ; Masse, Rene ; Nicoud, Jean-Francois ; George, Sumod ; Nangia, Ashwini ; Desiraju, Gautam R. (2000) C-H···O and C-H···N hydrogen bond networks in the crystal structures of some 1,2-dihydro-n-aryl-4,6-dimethylpyrimidin-2-ones Journal of Solid State Chemistry, 152 (1). pp. 221-228. ISSN 0022-4596

Thallapally, P. K. ; Desiraju, G. R. (2000) Tris(2-cyanoethyl) isocyanurate Acta Crystallographica Section C: Crystal Structure Communications, 56 . pp. 572-573. ISSN 0108-2701

Desiraju, Gautam R. ; Dunitz, Jack D. ; Nangia, Ashwini ; Sarma, Jagarlapudi A. R. P. ; Zass, Engelbert (2000) The even/odd disparity in organic compounds Helvetica Chimica Acta, 83 (1). pp. 1-15. ISSN 0018-019X

Bilton, C. ; Howard, J. A. K. ; Madhavi, N. N. L. ; Desiraju, G. R. ; Allen, F. H. (2000) 4-ethynyl-4-hydroxycyclohexan-1-one and 4-ethynyl-4-hydroxy-2,3,5,6-tetramethylcyclohexa-2,5-dien-1-one Acta Crystallographica Section C: Crystal Structure Communications, 56 . pp. 1356-1358. ISSN 0108-2701

Desiraju, Gautam R. (2000) Hydrogen bonds and other intermolecular interactions in organometallic crystals Dalton Transactions (21). pp. 3745-3751. ISSN 0300-9246

Madhavi, N. N. Laxmi ; Bilton, Clair ; Howard, Judith A. K. ; Allen, Frank H. ; Nangia, Ashwini ; Desiraju, Gautam R. (2000) Seeking structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family New Journal of Chemistry, 24 (1). pp. 1-4. ISSN 1144-0546

Desiraju, Gautam R. ; Gopalakrishnan, Bulusu ; Jetti, Ram K. ; Raveendra, Dayam ; Sarma, Jagarlapudi A. ; Subramanya, Hosahalli S. (2000) Three-dimensional quantitative structural activity relationship (3D-QSAR) studies of some 1,5-diarylpyrazoles: analogue based design of selective cyclooxygenase-2 inhibitors Molecules, 5 (7). pp. 945-955. ISSN 1420-3049

Thalladi, V. R. ; Weiss, H. C. ; Boese, R. ; Nangia, A. ; Desiraju, G. R. (1999) A comparative study of the crystal structures of tetrahalogenated hydroquinones and γ-hydroquinone Acta Crystallographica Section B: Structural Science, 55 . pp. 1005-1013. ISSN 0108-7681

Jetti, R. K. R. ; Weiss, H. C. ; Thalladi R., V. R. ; Nangia, A. ; Desiraju, G. R. (1999) 4-(triphenylmethyl)phenol-triphenylphosphine oxide (1/1) Acta Crystallographica Section C: Crystal Structure Communications, 55 . pp. 1530-1533. ISSN 0108-2701

Thalladi, V. R. ; Muthuraman, M. ; Nangia, A. ; Desiraju, G. R. (1999) Tri-p-tolyl-1,3,5-triazine Acta Crystallographica Section C: Crystal Structure Communications, 55 . pp. 698-700. ISSN 0108-2701

Nangia, Ashwini ; Desiraju, Gautam R. (1999) Axial and equatorial conformations of penicillins, their sulphoxides and sulphones: the role of N---H···S and C---H···O hydrogen bonds Journal of Molecular Structure, 474 (1-3). pp. 65-79. ISSN 0022-2860

Kuduva, Srinivasan S. ; Craig, Donald C. ; Nangia, Ashwini ; Desiraju, Gautam R. (1999) Cubanecarboxylic acids. crystal engineering considerations and the role of C-H···O hydrogen bonds in determining O-H···O networks Journal of the American Chemical Society, 121 (9). pp. 1936-1944. ISSN 0002-7863

Muthuraman, Meiyappan ; Fur, Yvette Le ; Bagieu-Beucher, Muriel ; Masse, Rene ; Nicoud, Jean-Francois ; Desiraju, Gautam R. (1999) Engineering of non-linear optical crystals displaying a quasi perfect polar alignment of chromophores Journal of Materials Chemistry (9). pp. 2233-2239. ISSN 0959-9428

Nangia, Ashwini ; Desiraju, Gautam R. (1999) Pseudopolymorphism: occurrences of hydrogen bonding organic solvents in molecular crystals Chemical Communications (7). pp. 605-606. ISSN 1359-7345

Senthil Kumar, V. S. ; Kuduva, S. Srinivasan ; Desiraju, Gautam R. (1999) Pseudopolymorphs of 3,5-dinitrosalicylic acid Journal of the Chemical Society. Perkin transactions 2 (6). pp. 1069-1074. ISSN 0300-9580

Muthuraman, Meiyappan ; Bagieu-Beucher, Muriel ; Masse, Rene ; Nicoud, Jean-Francois ; Desiraju, Gautam R. (1999) Sodium 4-nitrophenolate 4-nitrophenol dihydrate crystal: a new herringbone structure for quadratic nonlinear optics Journal of Materials Chemistry, 9 (7). pp. 1471-1479. ISSN 0959-9428

Thalladi, Venkat R. ; Boese, Roland ; Brasselet, Sophie ; Ledoux, Isabelle ; Zyss, Joseph ; Jetti, Ram K. R. ; Desiraju, Gautam R. (1999) Steering non-centrosymmetry into the third dimension: crystal engineering of an octupolar nonlinear optical crystal Chemical Communications (17). pp. 1639-1640. ISSN 1359-7345

Bilton, Clair ; Howard, Judith A. K. ; Madhavi, N. N. Laxmi ; Nangia, Ashwini ; Desiraju, Gautam R. ; Allen, Frank H. ; Wilson, Chick C. (1999) When is a polymorph not a polymorph? Helical trimeric O-H···O synthons in trans-1,4-diethynylcyclohexane-1,4-diol Chemical Communications (17). pp. 1675-1676. ISSN 1359-7345

Anthony, A. ; Jaskolski, M. ; Nangia, A. ; Desiraju, G. R. (1998) 17,17-ethylenedioxyandrost-4-ene-3,6-dione and 17,17-ethylenedioxyandrosta-1,4-diene-3,6-dione Acta Crystallographica Section C: Crystal Structure Communications, 54 . pp. 1894-1898. ISSN 0108-2701

Anthony, A. ; Jaskolski, M. ; Nangia, A. ; Desiraju, G. R. (1998) 5β -androstan-3,17-dione Acta Crystallographica Section C: Crystal Structure Communications, 54 . pp. 1898-1900. ISSN 0108-2701

Anthony, A. ; Desiraju, G. R. ; Jetti, R. K. R. ; Kuduva, S. S. ; Madhavi, N. N. L. ; Nangia, A. ; Thaimattam, R. ; Thalladi, V. R. (1998) Crystal engineering: some further strategies Crystal Engineering, 1 (1). pp. 1-18. ISSN 1463-0184

Jetti, Ram K. R. ; Kuduva, Srinivasan S. ; Reddy, D. Shekhar ; Xue, Feng ; Mak, Thomas C. W. ; Nangia, Ashwini ; Desiraju, Gautam R. (1998) 4-(triphenylmethyl)benzoic acid: a supramolecular wheel-and-axle host compound Tetrahedron Letters, 39 (8). pp. 913-916. ISSN 0040-4039

Thalladi, V. R. ; Katz, A. K. ; Carrell, H. L. ; Nangia, A. ; Desiraju, G. R. (1998) Trimethyl isocyanurate and triethyl isocyanurate Acta Crystallographica Section C: Crystal Structure Communications, 54 . pp. 86-89. ISSN 0108-2701

Thalladi, Venkat R. ; Weiss, Hans-Christoph ; Blaser, Dieter ; Boese, Roland ; Nangia, Ashwini ; Desiraju, Gautam R. (1998) C-H···F interactions in the crystal structures of some fluorobenzenes Journal of the American Chemical Society, 120 (34). pp. 8702-8710. ISSN 0002-7863

Braga, Dario ; Grepioni, Fabrizia ; Desiraju, Gautam R. (1998) Crystal engineering and organometallic architecture Chemical Reviews, 98 (4). pp. 1375-1406. ISSN 0009-2665

Thalladi, Venkat R. ; Brasselet, Sophie ; Weiss, Hans-Christoph ; Blaser, Dieter ; Katz, Amy K. ; Carrell, H. L. ; Boese, Roland ; Zyss, Joseph ; Nangia, Ashwini ; Desiraju, Gautam R. (1998) Crystal engineering of some 2,4,6-triaryloxy-1,3,5-triazines: octupolar nonlinear materials Journal of the American Chemical Society, 120 (11). pp. 2563-2577. ISSN 0002-7863

Steiner, Thomas ; Desiraju, Gautam R. (1998) Distinction between the weak hydrogen bond and the van der Waals interaction Chemical Communications (8). pp. 891-892. ISSN 1359-7345

Thaimattam, Ram ; Reddy, D. Shekhar ; Xue, Feng ; Mak, Thomas C. W. ; Nangia, Ashwini ; Desiraju, Gautam R. (1998) Interplay of strong and weak hydrogen bonding in molecular complexes of some 4,4'-disubstituted biphenyls with urea, thiourea and water Journal of the Chemical Society, Perkin Transactions 2 (8). pp. 1783-1790. ISSN 0300-9580

Desiraju, Gautam R. ; Anthony, Addlagatta ; Nangia, Ashwini ; Jaskolski, Mariusz (1998) Isostructurality in crystalline oxa-androgens: a case of C-O-···O and C-H···O interaction mimicry and solid solution formation Chemical Communications (22). pp. 2537-2538. ISSN 1359-7345

Thaimattam, Ram ; Reddy, D. Shekhar ; Xue, Feng ; Mak, Thomas C. W. ; Nangia, Ashwini ; Desiraju, Gautam R. (1998) Molecular networks in the crystal structures of tetrakis(4-iodophenyl)methane and (4-iodophenyl)triphenylmethane New Journal of Chemistry, 22 (2). pp. 143-148. ISSN 1144-0546

Zyss, J. ; Brasselet, S. ; Thalladi, V. R. ; Desiraju, G. R. (1998) Octupolar versus dipolar crystalline structures for nonlinear optics: a dual crystal and propagative engineering approach Journal of Chemical Physics, 109 (2). pp. 658-669. ISSN 0021-9606

Nangia, Ashwini ; Desiraju, Gautam R. (1998) Supramolecular synthons and pattern recognition Topics in Current Chemistry, 198 . pp. 57-95. ISSN 0340-1022

Langley, Philip J. ; Hulliger, Jurg ; Thaimattam, Ram ; Desiraju, Gautam R. (1998) Supramolecular synthons mediated by weak hydrogen bonding: forming linear molecular arrays via C≡C-H···N≡C and C≡C-H···O₂N recognition New Journal of Chemistry, 22 (12). pp. 1307-1309. ISSN 1144-0546

Chandrakala, P. S. ; Katz, Amy K. ; Sailaja, P. R. ; Podile, A. R. ; Nangia, Ashwini ; Desiraju, Gautam R. (1998) Synthesis, x-ray crystal structures and biological evaluation of some mono- and bi-cyclic 1,3-diazetidin-2-ones: non-natural β -lactam analogues Journal of the Chemical Society, Perkin Transactions 1 (16). pp. 2597-2608. ISSN 0300-922X

Braga, Dario ; Grepioni, Fabrizia ; Desiraju, Gautam R. (1997) Hydrogen bonding in organometallic crystals — a survey Journal of Organometallic Chemistry, 548 (1). pp. 33-43. ISSN 0022-328X

Biradha, K. ; Zaworotko, M. J. ; Nangia, A. ; Desiraju, G. R. (1997) 2,6-dibenzoyl-1,4-benzoquinone Acta Crystallographica Section C: Crystal Structure Communications, 53 . pp. 1653-1655. ISSN 0108-2701

Desiraju, Gautam R. (1997) Reactivity of organic solids — retrospect and prospect Solid State Ionics, 101-103 (2). pp. 839-842. ISSN 0167-2738

Desiraju, Gautam R. (1997) Crystal gazing: structure prediction and polymorphism Science, 278 (5337). pp. 404-405. ISSN 0036-8075

Desiraju, Gautam R. (1997) Crystal engineering: solid state supramolecular synthesis Current Opinion in Solid State & Materials Science, 2 (4). pp. 451-454. ISSN 1359-0286

Thalladi, V. R. ; Sharma, C. V. K. ; Desiraju, G. R. (1997) 2,4-dinitro-trans-cinnamic acid Acta Crystallographica Section C: Crystal Structure Communications, 53 . pp. 227-229. ISSN 0108-2701

Biradha, Kumar ; Nangia, Ashwini ; Desiraju, Gautam R. ; Carrell, C. J. ; Carrell, H. L. (1997) C-HLO hydrogen bonded multi-point recognition in molecular assemblies of dibenzylidene ketones and1,3,5-trinitrobenzenes Journal of Materials Chemistry (7). pp. 1111-1122. ISSN 0959-9428

Sarma, Jagarlapudi A. R. P. ; Allen, Frank H. ; Hoy, Vanessa J. ; Howard, Judith A. K. ; Thaimattam, Ram ; Biradha, Kumar ; Desiraju, Gautam R. (1997) Design of an SHG-active crystal, 4-iodo-4'-nitrobiphenyl: therole of supramolecular synthons Chemical Communications (1). pp. 101-102. ISSN 1359-7345

Desiraju, Gautam R. (1997) Designer crystals: intermolecular interactions, network structures and supramolecular synthons Chemical Communications (16). pp. 1475-1482. ISSN 1359-7345

Thalladi, Venkat R. ; Nangia, Ashwini ; Desiraju, Gautam R. ; Brasselet, Sophie ; Zyss, Joseph ; Blaser, Dieter ; Boese, Roland (1997) Engineering of an octupolar non-linear optical crystal: tribenzyl isocyanurate Chemical Communications (19). pp. 1841-1842. ISSN 1359-7345

Laxmi Madhavi, N. N. ; Desiraju, Gautam R. ; Katz, Amy K. ; Carrell, H. L. ; Nangia, Ashwini (1997) Evidence for the characterisation of the C-H …∏ interaction as a weak hydrogen bond: toluene and chlorobenzene solvates of 2,3,7,8-tetraphenyl-1,9,10-anthyridine Chemical Communications (20). pp. 1953-1954. ISSN 1359-7345

Braga, Dario ; Grepioni, Fabrizia ; Tedesco, Emilio ; Biradha, Kumar ; Desiraju, Gautam R. (1997) Hydrogen bonding in organometallic crystals. 6. X-H---M hydrogen bonds and M---(H-X) pseudo-agostic bonds Organometallics, 16 (9). pp. 1846-1856. ISSN 0276-7333

Sarma, Jagarlapudi A. R. P. ; Nangia, Ashwini ; Desiraju, Gautam R. ; Zass, Engelbert ; Dunitz, Jack D. (1996) Even-odd carbon atom disparity Nature, 384 . p. 320. ISSN 0028-0836

Biradha, K. ; Desiraju, G. R. ; Carrell, H. L. ; Katz, A. K. (1996) 2,6-dibenzoylhydroquinone Acta Crystallographica Section C: Crystal Structure Communications, 52 . pp. 2839-2841. ISSN 0108-2701

Allen, F. H. ; Lommerse, J. P. M. ; Hoy, V. J. ; Howard, J. A. K. ; Desiraju, G. R. (1996) The hydrogen-bond C-H donor and ∏ -acceptor characteristics of three-membered rings Acta Crystallographica Section B: Structural Science, 52 . pp. 734-745. ISSN 0108-7681

Reddy, Shekhar D. ; Ovchinnikov, Yuri E. ; Shishkin, Oleg V. ; Struchkov, Yuri T. ; Desiraju, Gautam R. (1996) Supramolecular synthons in crystal engineering. 3. Solid state architecture and synthon robustness in some 2,3-dicyano-5,6-dichloro-1,4-dialkoxybenzenes Journal of the American Chemical Society, 118 (17). pp. 4085-4089. ISSN 0002-7863

Reddy, D. Shekhar ; Craig, Donald C. ; Desiraju, Gautam R. (1996) Supramolecular synthons in crystal engineering. 4. Structure simplification and synthon interchangeability in some organic diamondoid solids Journal of the American Chemical Society, 118 (17). pp. 4090-4093. ISSN 0002-7863

Desiraju, Gautam R. ; Sarma, Jagarlapudi A. R. P. (1996) The chloro-methyl exchange rule and its violations in the packing of organic molecular solids Proceedings of the Indian Academy of Sciences - Chemical Sciences, 96 (6). pp. 599-605. ISSN 0253-4134

Desiraju, Gautam R. (1996) The supramolecular concept as a bridge between organic, inorganic and organometallic crystal chemistry Journal of Molecular Structure: Theochem, 374 (1-3). pp. 191-198. ISSN 0166-1280

Braga, Dario ; Grepioni, Fabrizia ; Biradha, Kumar ; Desiraju, Gautam R. (1996) Agostic interactions in organometallic compounds. A cambridge structural database study Journal of the Chemical Society, Dalton Transactions (20). pp. 3925-3930. ISSN 0300-9246

Desiraju, Gautam R. (1996) The C-H···O hydrogen bond: structural implications and supramolecular design Accounts of Chemical Research, 29 (9). pp. 441-449. ISSN 0001-4842

Nangia, Ashwini ; Biradha, Kumar ; Desiraju, Gautam R. (1996) Correlation of biological activity in β -lactam antibiotics with woodward and cohen structural parameters-a cambridge database study Journal of the Chemical Society, Perkin Transactions 2 (5). pp. 943-953. ISSN 0300-9580

Allen, Frank H. ; Howard, Judith A. K. ; Hoy, Vanessa J. ; Desiraju, Gautam R. ; Reddy, D. Shekhar ; Wilson, Chick C. (1996) First neutron diffraction analysis of an O-H···∏ hydrogen bond: 2-ethynyladamantan-2-ol Journal of the American Chemical Society, 118 (17). pp. 4081-4084. ISSN 0002-7863

Biradha, Kumar ; Desiraju, Gautam R. ; Braga, Dario ; Grepioni, Fabrizia (1996) Hydrogen bonding in organometallic crystals. 3.Transition-metal complexes containing amido groups Organometallics, 15 (4). pp. 1284-1295. ISSN 0276-7333

Braga, Dario ; Grepioni, Fabrizia ; Tedesco, Emilio ; Biradha, Kumar ; Desiraju, Gautam R. (1996) Hydrogen bonding in organometallic crystals. 4. M-H- - -O hydrogen-bonding interactions Organometallics, 15 (12). pp. 2692-2699. ISSN 0276-7333

Thalladi, Venkat R. ; Goud, B. Satish ; Hoy, Vanessa J. ; Allen, Frank H. ; Howard, Judith A. K. ; Desiraju, Gautam R. (1996) Supramolecular synthons in crystal engineering. Structure simplification, synthon robustness and supramolecular retrosynthesis Chemical Communications (3). pp. 401-402. ISSN 1359-7345

Desiraju, Gautam R. (1995) Supramolecular synthons in crystal engineering—a new organic synthesis Angewandte Chemie International Edition, 34 (21). pp. 2311-2327. ISSN 1433-7851

Reddy, D. S. ; Panneerselvam, K. ; Desiraju, G. R. ; Carrell, H. L. ; Carrell, C. J. (1995) 1,3,5-tricyanobenzene Acta Crystallographica Section C: Crystal Structure Communications, 51 . pp. 2352-2354. ISSN 0108-2701

Sharma, C. V. K. ; Panneerselvam, K. ; Desiraju, G. R. ; Pilati, T. (1995) Methyl 3,5-dinitro-trans-cinnamate Acta Crystallographica Section C: Crystal Structure Communications, 51 . pp. 1364-1366. ISSN 0108-2701

Goud, B. S. ; Reddy, P. K. ; Panneerselvam, K. ; Desiraju, G. R. (1995) 1:1 molecular complex of 2,3,4,5,6-pentafluoro-trans-cinnamic acid and 4-(n,n-dimethylamino)-trans-cinnamic acid Acta Crystallographica Section C: Crystal Structure Communications, 51 . pp. 683-685. ISSN 0108-2701

Braga, Dario ; Grepioni, Fabrizia ; Biradha, Kumar ; Pedireddi, V. R. ; Desiraju, Gautam R. (1995) Hydrogen bonding in organometallic crystals. 2. C-H…O hydrogen bonds in bridged and terminal first-row metal carbonyls Journal of the American Chemical Society, 117 (11). pp. 3156-3166. ISSN 0002-7863

Goud, B. S. ; Panneerselvam, K. ; Zacharias, D. E. ; Desiraju, G. R. (1995) 4,6-dimethyl-2-(4-nitrobenzylidene)-3(2h)-benzofuranone Acta Crystallographica Section C: Crystal Structure Communications, 51 . pp. 265-267. ISSN 0108-2701

Biradha, Kumar ; Edwards, Ross E. ; Foulds, Glenn J. ; Robinson, Ward T. ; Desiraju, Gautam R. (1995) (4-dimethylaminopyridine)₅(benzoic acid)₃(H₂O)₁₀: a two-dimensional clathrate hydrate Chemical Communications (16). pp. 1705-1707. ISSN 1359-7345

Thalladi, Venkat R. ; Panneerselvam, Kaliyamoorthy ; Carrell, C. J. ; Carrell, H. L. ; Desiraju, Gautam R. (1995) Hexagonal supramolecular networks in the crystal structure of the 1:1 molecular complex trimethylisocyanurate-1,3,5-trinitrobenzene Chemical Communications (3). pp. 341-342. ISSN 1359-7345

Goud, B. Satish ; Panneerselvam, Kaliyamoorthy ; Zacharias, David E. ; Desiraju, Gautam R. (1995) Intramolecular michael-type addition in the solid state Journal of the Chemical Society, Perkin Transactions 2 (2). pp. 325-330. ISSN 0300-9580

Reddy, D. Shekhar ; Craig, Donald C. ; Desiraju, Gautam R. (1995) Topological equivalences between organic and inorganic crystal structures: 1,3,5,7-tetrahydroxyadamantane and caesium chloride Chemical Communications (3). pp. 339-340. ISSN 1359-7345

Reddy, D. Shekhar ; Panneerselvam, Kaliyamoorthy ; Shimoni, Liat ; Carrell, H. L. ; Desiraju, Gautam R. (1994) Molecular and crystal structure of 1-(8-carboxyoctyl)-1,3,5,7-tetraazaadamantan-1-ium bromide and 1-(6-bromohexyl)-1,3,5,7-tetraazaadamantan-1-ium bromide Journal of Molecular Structure, 327 (2-3). pp. 113-120. ISSN 0022-2860

Braga, Dario ; Grepioni, Fabrizia ; Sabatino, Piera ; Desiraju, Gautam R. (1994) Hydrogen bonding in organometallic crystals. 1. From carboxylic acids and alcohols to carbonyl complexes Organometallics, 13 (9). pp. 3532-3543. ISSN 0276-7333

Sharma, C. V. Krishnamohan ; Panneerselvam, Kaliyamoorthy ; Shimoni, Liat ; Katz, Henry ; Carrell, H. L. ; Desiraju, Gautam R. (1994) 3-(3',5'-dinitrophenyl)-4-(2',5'-dimethoxyphenyl)cyclobutane-1,2-dicarboxylic acid: engineered topochemical synthesis and molecular and supramolecular properties Chemistry of Materials, 6 (8). pp. 1282-1292. ISSN 0897-4756

Desiraju, Gautam R. (1994) Towards supramolecular inorganic chemistry Proceedings of the Indian Academy of Sciences - Chemical Sciences, 106 (3). pp. 593-597. ISSN 0253-4134

Krishnamohan Sharma, C. V. ; Desiraju, Gautam R. (1994) C-H··· O hydrogen bond patterns in crystalline nitro compounds: studies in solid-state molecular recognition Journal of the Chemical Society. Perkin transactions 2 . pp. 2345-2352. ISSN 0300-9580

Allen, Frank H. ; Goud, B. Satish ; Hoy, Vanessa J. ; Howard, Judith A. K. ; Desiraju, Gautam R. (1994) Molecular recognition via lodo ... nitro and lodo ... cyano interactions: crystal structures of the 1 : 1 complexes of 1,4-diiodobenzene with 1,4-dinitrobenzene and 7,7,8,8-tetracyanoquinodimethane (TCNQ) Chemical Communications (23). pp. 2729-2730. ISSN 1359-7345

Reddy, Shekhar D. ; Craig, Donald C. ; Desiraju, Gautam R. (1994) Organic alloys: diamondoid networks in crystalline complexes of 1,3,5,7-tetrabromoadamantane, hexamethylenetetramine and carbon tetrabromide Chemical Communications (12). pp. 1457-1458. ISSN 1359-7345

Pedireddi, V. R. ; Reddy, D. Shekhar ; Goud, B. Satish ; Craig, Donald C. ; Rae, A. David ; Desiraju, Gautam R. (1994) The nature of halogen···halogen interactions and the crystal structure of 1,3,5,7-tetraiodoadamantane Journal of the Chemical Society. Perkin transactions 2 . pp. 2353-2360. ISSN 0300-9580

Desiraju, G. R. ; Kashino, S. ; Coombs, M. M. ; Glusker, J. P. (1993) C-H···O packing motifs in some cyclopenta[a]phenanthrenes Acta Crystallographica Section B: Structural Science, 49 . pp. 880-892. ISSN 0108-7681

Viswamitra, M. A. ; Radhakrishnan, R. ; Bandekar, Jagdeesh ; Desiraju, Gautam R. (1993) Evidence for O-H···C and N-H···C hydrogen bonding in crystalline alkynes, alkenes and aromatics Journal of the American Chemical Society, 115 (11). pp. 4868-4869. ISSN 0002-7863

Goud, B. S. ; Pathaneni, S. S. ; Desiraju, G. R. (1993) Structure of 4-iodo-trans-cinnamic acid and a study of carboxyl group disorder Acta Crystallographica Section C: Crystal Structure Communications, 49 . pp. 1107-1111. ISSN 0108-2701

Reddy, Shekhar D. ; Goud, B. Satish ; Panneerselvam, Kaliyamoorthy ; Desiraju, Gautam R. (1993) C-H···N mediated hexagonal network in the crystal structure of the 1:1 molecular complex 1,3,5-tricyanobenzene-hexamethylbenzene Chemical Communications (8). pp. 663-664. ISSN 1359-7345

Pathaneni, Swaroop S. ; Desiraju, Gautam R. (1993) Database analysis of Au … Au interactions Dalton Transactions (2). pp. 319-322. ISSN 1477-9226

Pathaneni, Swaroop S. ; Desiraju, Gautam R. (1993) Database studies of halide ion pairs with bridging water and NH₂ amino molecules Dalton Transactions (16). pp. 2505-2508. ISSN 1477-9226

Krishnamohan Sharma, C. V. ; Panneerselvam, Kaliyamoorthy ; Pilati, Tullio ; Desiraju, Gautam R. (1993) Molecular recognition involving an interplay of O-H···O, C-H···O and ∏···∏ interactions. The anomalous crystal structure of the 1 : 1 complex 3,5-dinitrobenzoic acid-4-(n,n-dimethylamino)benzoic acid Journal of the Chemical Society, Perkin Transactions 2 (11). pp. 2209-2216. ISSN 0300-9580

Reddy, D. Shekhar ; Panneerselvam, Kaliyamoorthy ; Pilati, Tullio ; Desiraju, Gautam R. (1993) Molecular tapes based on C≡N···Cl interactions Chemical Communications (8). pp. 661-662. ISSN 1359-7345

Reddy, D. Shekhar ; Craig, Donald C. ; Rae, A. David ; Desiraju, Gautam R. (1993) N ··· Br mediated diamondoid network in the crystalline complex carbon tetrabromide: hexamethylenetetramine Chemical Communications (23). pp. 1737-1739. ISSN 1359-7345

Biradha, Kumar ; Krishnamohan, C. V. ; Panneerselvam, Kaliyamoorthy ; Shimoni, Liat ; Carrell, H. L. ; Zacharias, David E. ; Desiraju, Gautam R. (1993) Solid state supramolecular assembly via C-H···O hydrogen bonds: crystal structures of the complex of 1,3,5-trinitrobenzene with dibenzylideneacetone and 2,5-dibenzylidenecyclopentanone Chemical Communications (19). pp. 1473-1475. ISSN 1359-7345

Desiraju, Gautam R. ; Biradha, Kumar ; Sharma, C. V. Krishnamohan ; Panneerselvam, Kaliyamoorthy ; Shimoni, Liat ; Carrell, H. L. ; Zacharias, David E. (1993) Solid-state supramoecular assembly via C-H ··· O hydrogen bonds: crystal structures of the complexes of 1,3,5-trinitrobenzene with dibenzylideneacetone and 2,5-dibenzylidenecyclopentanone Chemical Communications (19). pp. 1473-1475. ISSN 1359-7345

Goud, B. S. ; Desiraju, G. R. (1993) Structure of (4-bromophenyl)propiolic acid and its unusual hydrogen-bonding pattern Acta Crystallographica Section C: Crystal Structure Communications, 49 . pp. 292-294. ISSN 0108-2701

Desiraju, Gautam R. (1992) C-H … O hydrogen bonding and the deliberate design of organic crystal structures Molecular Crystals and Liquid Crystals, 211 . pp. 63-74. ISSN 1542-1406

Pedireddi, V. Rao ; Sarma, Jagarlapudi A. R. P. ; Desiraju, Gautam R. (1992) Crystal engineering and solid state chemistry of some β -nitrostyrenes Journal of the Chemical Society, Perkin Transactions 2 (2). pp. 311-320. ISSN 0300-9580

Sharma, C. V. Krishnamohan ; Panneerselvam, Kaliyamoorthy ; Pilati, Tullio ; Desiraju, Gautam R. (1992) Molecular recognition via C-H···O hydrogen bonding. Crystal structure of the 1:1 complex 4-nitrobenzoic acid-4-(n,n-dimethylamino)benzoic acid Chemical Communications (11). pp. 832-833. ISSN 1359-7345

Pedireddi, V. R. ; Desiraju, Gautam R. (1992) A crystallographic scale of carbon acidity Chemical Communications (14). pp. 988-990. ISSN 1359-7345

Desiraju, Gautam R. (1991) The C-H···O hydrogen bond in crystals: what is it? Accounts of Chemical Research, 24 (10). pp. 290-296. ISSN 0001-4842

Desiraju, G. R. ; Calabrese, J. C. ; Harlow, R. L. (1991) Pseudoinversion centers in space group P1 and a redetermination of the crystal structure of 3,4-dimethoxycinnamic acid. A study of non-crystallographic symmetry Acta Crystallographica Section B: Structural Science, 47 . pp. 77-86. ISSN 0108-7681

Desiraju, Gautam R. ; Sharma, Cheedella V. K. M. (1991) C-H···O hydrogen bonding and topochemistry in crystalline 3,5-dinitrocinnamic acid and its 1:1 donor-acceptor complex with 2,5-dimethoxycinnamic acid Chemical Communications (18). pp. 1239-1241. ISSN 1359-7345

Desiraju, Gautam R. ; Nalini, Veerapaneni (1991) Database analysis of crystal-structure-determining interactions involving sulphur: implications for the design of organic metals Journal of Materials Chemistry, 1 (2). pp. 201-203. ISSN 0959-9428

Desiraju, Gautam R. (1991) Hydration in organic crystals: prediction from molecular structure Chemical Communications (6). pp. 426-428. ISSN 1359-7345

Dhurjati, Mudigonda S. K. ; Sarma, Jagarlapudi A. R. P. ; Desiraju, Gautam R. (1991) Unusual [2 + 2] topochemical cycloadditions of 3-cyano-and4-cyano-cinnamic acids: temperature dependent solid state photochemical reactions Chemical Communications (23). pp. 1702-1703. ISSN 1359-7345

Desiraju, Gautam R. ; Murty, B. Narasimha ; Radha Kishan, K. V. (1990) Unexpected hydrogen bonding in the crystal structure of (4-chlorophenyl)propiolic acid. role of C-H···O hydrogen bonds in determining O-H···O networks Chemistry of Materials, 2 (4). pp. 447-449. ISSN 0897-4756

Harlow, R. L. ; Desiraju, G. R. (1990) Structure of perhydrotriphenylene Acta Crystallographica Section C: Crystal Structure Communications, 46 . pp. 1054-1055. ISSN 0108-2701

Desiraju, G. R. ; Rao, D. R. (1990) Structure of l-lanthionine Acta Crystallographica Section C: Crystal Structure Communications, 46 . pp. 627-629. ISSN 0108-2701

Desiraju, Gautam R. (1990) Strength and linearity of C-H···O bonds in molecular crystals: a database study of some terminal alkynes Chemical Communications (6). pp. 454-455. ISSN 1359-7345

Desiraju, Gautam R. ; Parthasarathy, R. (1989) The nature of halogen···halogen interactions: are short halogen contacts due to specific attractive forces or due to close packing of non-spherical atoms? Journal of the American Chemical Society, 111 (23). pp. 8725-8726. ISSN 0002-7863

Desiraju, G. R. ; Gavezzotti, A. (1989) Crystal structures of polynuclear aromatic hydrocarbons. Classification, rationalization and prediction from molecular structure Acta Crystallographica Section B: Structural Science, B45 . pp. 473-482. ISSN 0108-7681

Nalini, V. ; Desiraju, G. R. (1989) Structure of 4-phenylthiazole-2(3h)-thione (1) and bis(4-chlorophenacyl) disulfide (2), the product obtained on its gas-solid chlorination Acta Crystallographica Section C: Crystal Structure Communications, 45 . pp. 1525-1527. ISSN 0108-2701

Nalini, V. ; Desiraju, G. R. (1989) Tautomerism in thiazolethiones. Structure of 4-(3-nitrophenyl)thiazole-2(3h)-thione Acta Crystallographica Section C: Crystal Structure Communications, 45 . pp. 1528-1530. ISSN 0108-2701

Ramachandra, P. ; Rama Krishna, T. Siva ; Desiraju, Gautam R. (1989) Clathrate compound of a new host material, 3-hydroxy-6-(4′-nitro)phenylazopyridine Proceedings of the Indian Academy of Sciences - Chemical Sciences, 101 (4). pp. 327-334. ISSN 0253-4134

Desiraju, Gautam R. ; Harlow, Richard L. (1989) Cyano-halogen interactions and their role in the crystal structures of the 4-halobenzonitriles Journal of the American Chemical Society, 111 (17). pp. 6757-6764. ISSN 0002-7863

Desiraju, Gautam R. ; Radha Kishan, K. V. (1989) Crystal chemistry of some (alkoxyphenyl)propiolic acids. The role of oxygen and hydrogen atoms in determining stack structures of planar aromatic compounds Journal of the American Chemical Society, 111 (13). pp. 4838-4843. ISSN 0002-7863

Desiraju, Gautam R. ; Bernstein, Joel ; Radha Kishan, K. V. ; Sarma, Jagarlapudi A. R. P. (1989) Crystal structure and solid state photoreactivity of 2,5-dibenzylidenecyclopent-3-ene-1-one and its tetrachloro derivative Tetrahedron Letters, 30 (23). pp. 3029-3032. ISSN 0040-4039

Desiraju, Gautam R. (1989) Distance dependence of C-H···O interactions in some chloroalkyl compounds Chemical Communications (3). pp. 179-180. ISSN 1359-7345

Desiraju, Gautam R. ; Gavezzotti, A. (1989) From molecular to crystal structure; polynuclear aromatic hydrocarbons Chemical Communications (10). pp. 621-623. ISSN 1359-7345

Desiraju, Gautam R. ; Pedireddi, V. R. (1989) Solid state dimerisation of β-nitrostyrene: a disordered photoreactive Chemical Communications (16). pp. 1112-1113. ISSN 1359-7345

Desiraju, Gautam R. ; Siva Rama Krishna, T. (1988) Prediction of non-centrosymmetric packing for 1,3-disubstituted nitro aromatics. Crystal and molecular structure of 3-hydroxy-6-(3'-nitro)-phenylazopyridine Molecular Crystals and Liquid Crystals, 159 . pp. 277-287. ISSN 1542-1406

Nalini, V. ; Desiraju, G. R. (1988) Structure of (4SR,6aRS)-4-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4,5,6,6a-tetrahydro-5,5,6a-trimethyl-2(1H)-pentalenone Acta Crystallographica Section C: Crystal Structure Communications, 44 . pp. 510-512. ISSN 0108-2701

Nethaji, M. ; Pattabhi, V. ; Desiraju, G. R. (1988) Structure of 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid (ferulic acid) Acta Crystallographica Section C: Crystal Structure Communications, 44 . pp. 275-277. ISSN 0108-2701

Desiraju, Gautam R. ; Krishna, T. Siva Rama (1988) Non-centrosymmetry in organic crystals: a study of molecular conformation in some substituted tolans Chemical Communications (3). pp. 192-194. ISSN 1359-7345

Gavezzotti, A. ; Desiraju, G. R. (1988) A systematic analysis of packing energies and other packing parameters for fused-ring aromatic hydrocarbons Acta Crystallographica Section B: Structural Science, B44 . pp. 427-434. ISSN 0108-7681

Kishan, K. V. Radha ; Desiraju, Gautam R. (1987) Crystal engineering: a solid state diels-alder reaction Journal of Organic Chemistry, 52 (20). pp. 4640-4641. ISSN 0022-3263

Desiraju, Gautam R. ; Murty, B. Narasimha (1987) Correlation between crystallographic and spectroscopic properties for C-H|O bonds in terminal acetylenes Chemical Physics Letters, 139 (3-4). pp. 360-361. ISSN 0009-2614

Garcia-Granda, S. ; Beurskens, G. ; Beurskens, P. T. ; Krishna, T. S. R. ; Desiraju, G. R. (1987) Structure of 3,4-dihydroxy-trans-cinnamic acid (caffeic acid) and its lack of solid-state topochemical reactivity Acta Crystallographica Section C: Crystal Structure Communications, 43 . pp. 683-685. ISSN 0108-2701

Sarma, Jagarlapudi A. R. P. ; Desiraju, Gautam R. (1987) C-H···O interactions and the adoption of 4 Å short-axis crystal structures by oxygenated aromatic compounds Journal of the Chemical Society, Perkin Transactions 2 (9). pp. 1195-1202. ISSN 0300-9580

Nalini, Veerapaneni ; Desiraju, Gautam R. (1987) Crystal engineering through non-bonded contacts to sulphur : structure and solid state photoreactivity of 4-(4'-chloro)-phenyl-Δ-4-thiazolene-2-thione Tetrahedron, 43 (7). pp. 1313-1320. ISSN 0040-4020

Desiraju, Gautam Radhakrishna (1987) Designing organic crystals Progress in Solid State Chemistry, 17 (4). pp. 295-353. ISSN 0079-6786

Desiraju, Gautam R. ; Nalini, Veerapaneni (1987) Gas-solid chlorination of 4-phenylthiazole-2(1h)-thione Chemical Communications (13). pp. 1046-1048. ISSN 1359-7345

Sarma, Jagarlapudi A. R. P. ; Desiraju, Gautam R. (1987) Mixed crystals of 6-chloro-3,4-methylenedioxycinnamic acid with 2,4- and 3,4-dichlorocinnamic acids; structure, topochemistry, and intermolecular interactions Journal of the Chemical Society, Perkin Transactions 2 (9). pp. 1187-1193. ISSN 0300-9580

Desiraju, Gautam R. ; Sarma, J. A. R. P. ; Krishna, T. S. R. (1986) Dipole-dipole interactions and the inversion motif in the crystal structures of planar chloro aromatics: the unusual packings of 1,2,3-trichlorobenzene and 1,2,3,7,8,9-hexachlorodibenzo-p-dioxin Chemical Physics Letters, 131 (1-2). pp. 124-128. ISSN 0009-2614

Masood, Md. Athar ; Desiraju, Gautam R. (1986) Hydrogen bonding and phase transitions in pentachlorophenol-hexachlorobenzene solid solutions Chemical Physics Letters, 130 (3). pp. 199-202. ISSN 0009-2614

Krishna, T. S. R. ; Desiraju, G. R. (1986) Structure of 3-hydroxy-6-(4'-methyl)phenylazopyridine Acta Crystallographica Section C: Crystal Structure Communications, 42 . pp. 1246-1248. ISSN 0108-2701

Sarma, Jagarlapudi A. R. P. ; Desiraju, Gautam R. (1986) The role of Cl···Cl and C-H···O interactions in the crystal engineering of 4Å short-axis structures Accounts of Chemical Research, 19 (7). pp. 222-228. ISSN 0001-4842

Sarma, Jagarlapudi A. R. P. ; Desiraju, Gautam R. (1986) Molecular discrimination in the formation of mixed crystals of some substituted chlorocinnamic acids Journal of the American Chemical Society, 108 (10). pp. 2791-2793. ISSN 0002-7863

Desiraju, Gautam R. ; Kannan, V. (1986) What is the maximum yield in the solid state cinnamic acid dimerisation? A combinatorial mathematical approach Proceedings of the Indian Academy of Sciences - Chemical Sciences, 96 (5). pp. 351-362. ISSN 0253-4134

Nalini, Veerapaneni ; Desiraju, Gautam R. (1986) The role of non-bonded interactions involving sulphur in the crystal engineering of 4 Å short axis structures. Unusual topochemical reactivity of 4-(4-chlorophenyl)thiazole-2(1h)-thione Chemical Communications (13). pp. 1030-1032. ISSN 1359-7345

Sarma, Jagarlapudi A. R. P. ; Desiraju, Gautam R. (1985) The chloro-substituent as a steering group: a comparative study of non-bonded interactions and hydrogen bonding in crystalline chloro-aromatics Chemical Physics Letters, 117 (2). pp. 160-164. ISSN 0009-2614

Kearsley, S. K. ; Desiraju, G. R. (1985) Determination of an organic crystal structure with the aid of topochemical and related considerations: correlation of the molecular and crystal structures of α-benzylidene-γ-butyrolactone and 2- benzylidenecyclopentanone with their solid state photoreactivity Proceedings of the Royal Society of London, 397 (1812). pp. 157-181. ISSN 0962-8444

Sarma, Jagarlapudi A. R. P. ; Desiraju, Gautam R. (1985) The novel 1:1 donor-acceptor complex, 3,4-dimethoxycinnamic acid-2,4-dinitrocinnamic acid. Crystal engineering, structure, and anomalous lack of solid-state topochemical reactivity Journal of the Chemical Society, Perkin Transactions 2 (12). pp. 1905-1912. ISSN 0300-9580

Thomas, Noel W. ; Desiraju, Gautam R. (1984) An investigation into the role of chloro-substituents in hydrogen-bonded crystals: the crystal structures of the dichlorophenols Chemical Physics Letters, 110 (1). pp. 99-102. ISSN 0009-2614

Theocharis, Charis R. ; Desiraju, Gautam R. ; Jones, William (1984) The use of mixed crystals for engineering organic solid-state reactions: application to benzylbenzylidenecyclopentanones Journal of the American Chemical Society, 106 (12). pp. 3606-3609. ISSN 0002-7863

Desiraju, Gautam R. (1984) Organic solid state chemistry-some perspectives Proceedings of the Indian Academy of Sciences - Chemical Sciences, 93 (3). pp. 407-419. ISSN 0253-4134

Sarma, Jagarlapudi A. R. P. ; Desiraju, Gautam R. (1984) Crystal engineering via Cl ··· Cl non-bonded interactions. The novel 2:1 complex, 6-chloro-3,4-(methylenedioxy)cinnamic acid-2,4-dichlorocinnamic acid. Topochemical conversion into an unsymmetrical cyclobutane and kinetics of the reaction Chemical Communications (3). pp. 145-147. ISSN 1359-7345

Desiraju, Gautam R. ; Kamala, Ramamurthy ; Kumari, B. Hanuma ; Sarma, Jagarlapudi A. R. P. (1984) Crystal engineering via non-bonded interactions involving oxygen. X-ray crystal structures of 3,4-methylenedioxycinnamic acid and 3,4-dimethoxycinnamic acid Journal of the Chemical Society, Perkin Transactions 2 (2). pp. 181-189. ISSN 0300-9580

Desiraju, G. R. ; Kamala, R. (1983) 6-chloro-1-methyl-4-phenyl-1H-2,1,3-benzothiadiazine 2,2-dioxide, C₁₄H₁₁ClN₂O₂S Acta Crystallographica Section C: Crystal Structure Communications, 39 . pp. 358-360. ISSN 0108-2701

Desiraju, Gautam R. ; Sarma, J. A. R. P. (1983) Crystal engineering via donor-acceptor interactions. X-ray crystal structure and solid state reactivity of the 1:1 complex, 3,4-dimethoxycinnamic acid-2,4-dinitrocinnamic acid Journal of the Chemical Society, Chemical Communications (1). pp. 45-46. ISSN 0577-6171

Desiraju, Gautam R. (1983) Intermolecular proton transfers in the solid state. Conversion of the hydroxyazo into the quinone hydrazone tautomer of 2-amino-3-hydroxy-6-phenylazopyridine. X-ray crystal structures of the two forms Journal of the Chemical Society, Perkin transactions 2 (7). pp. 1025-1030. ISSN 0300-9580

Jones, William ; Theocharis, Charis R. ; Thomas, John M. ; Desiraju, Gautam R. (1983) Structural mimicry and the photoreactivity of organic solids Journal of the Chemical Society, Chemical Communications (23). pp. 1443-1444. ISSN 0577-6171

Desiraju, Gautam R. ; Rao, Madan (1982) A mild transformation of γ-FeOOH to γ-Fe₂O₃ using organic reagents Materials Research Bulletin, 17 (4). pp. 443-449. ISSN 0025-5408

Desiraju, Gautam R. ; Shastry, B. Prabhakara (1981) Organic reactions in inorganic matrices-oxidation of hydroquinone top-benzoquinone on solid MoO₃ surfaces Proceedings of the Indian Academy of Sciences - Chemical Sciences, 90 (3). pp. 243-246. ISSN 0253-4134

Ganguly, Somnath ; Fernandes, Jacob R. ; Desiraju, Gautam R. ; Rao, C. N. R. (1980) Phase transition in malonic acid: an infrared study Chemical Physics Letters, 69 (2). pp. 227-229. ISSN 0009-2614

Desiraju, Gautam R. ; Curtin, David Y. ; Paul, Iain C. (1979) Structural studies of 1:1 quinone-hydroquinone complexes Molecular Crystals and Liquid Crystals, 52 . pp. 259-266. ISSN 1542-1406

Desiraju, Gautam R. ; Curtin, David Y. ; Paul, Iain C. (1977) Synthesis and interconversion by hydrogen exchange of isomeric quinhydrones Journal of Organic Chemistry, 42 (25). pp. 4071-4075. ISSN 0022-3263

Desiraju, Gautam R. ; Curtin, David Y. ; Paul, Iain C. (1977) Crystal growth by nonaqueous gel diffusion Journal of the American Chemical Society, 99 (18). p. 6148. ISSN 0002-7863

Desiraju, Gautam R. ; Paul, Iain C. ; Curtin, David Y. (1977) Conversion in the solid state of the yellow to the red form of 2-(4'-methoxyphenyl)-1,4-benzoquinone. X-ray crystal structures and anisotropy of the rearrangement Journal of the American Chemical Society, 99 (5). pp. 1594-1601. ISSN 0002-7863