Gangopadhyay, P. ; Radhakrishnan, T. P. (2001) Visualizing supramolecular macrocyclic formations Molecular Crystals and Liquid Crystals, 369 (14). pp. 167-219. ISSN 1058-725X
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Abstract
A convenient protocol to analyze complicated network structures arising due to noncovalent interactions in the solid state is demonstrated using the remarkably complex and extensively H-bonded crystal structure of the 1:3 cocrystal of cis,cis-1,3,5-cyclohexanetricarboxylic acid and urea. The visualization of the H-bond network in terms of macrocyclic formations and their systematic enumeration allows a simple analysis of the complex intermolecular interaction pathways which play a fundamental role in molecular materials design.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Taylor and Francis Group. |
| Keywords: | Organic Compounds; Algorithms; Computer Program; Graph Method; Macrocycle; Visualization; Hydrogen Bonds; Intermolecular Interaction; Supramolecular Structure; Tricarboxylic Acid; Carboxylic Acids; Saturated Cyclic Compound; Ureas; Adducts |
| ID Code: | 72520 |
| Deposited On: | 17 Jan 2012 11:44 |
| Last Modified: | 17 Jan 2012 11:44 |
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