Singh, Fateh V. ; Kumar, Rishi ; Sharon, Ashoke ; Broder, Charlotte K. ; Howard, Judith A.K. ; Goel, Atul ; Maulik, Prakas R. (2006) Synthesis and X-ray structural studies of pyrimidin-2,4-dione and 2-thioxo-1H-pyrimidin-4-one bearing chloroethyl moiety Journal of Molecular Structure, 782 (1). pp. 55-59. ISSN 0022-2860
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Official URL: http://doi.org/10.1016/j.molstruc.2005.01.015
Related URL: http://dx.doi.org/10.1016/j.molstruc.2005.01.015
Abstract
The present work is aimed to investigate non-covalent bonding capabilities of uracil derivative bearing hydrophobic side chain in solid crystalline state. The synthesis and crystal structure of 5-(2-chloro-ethyl)-6-methyl-uracil 3 and 5-(2-chloro-ethyl)-6-methyl-2-thiouracil 4 are described, which revealed sulfur–π interaction including resonance-induced intermolecular H-bonding in 4 whereas compound 3 showed only strong H-bonding and formed a dimer. Thus the analysis of such moieties in solid state provides useful structural information on the binding characteristics of functional groups and has implications for the de novo design of drugs and enzyme's inhibitors.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Uracil; Thiouracil; Pyrimidin-2, 4-dione; Synthesis; Crystal Structure. |
| ID Code: | 117914 |
| Deposited On: | 06 May 2021 08:28 |
| Last Modified: | 06 May 2021 08:28 |
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