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Synthesis and X-ray structural studies of pyrimidin-2,4-dione and 2-thioxo-1H-pyrimidin-4-one bearing chloroethyl moiety |
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| Authors: | Fateh V Singh Rishi Kumar Ashoke Sharon Charlotte K Broder Atul Goel Prakas R Maulik |
| Institution: | a Medicinal and Process Chemistry Division, Central Drug Research Institute, Lucknow 226001, India b Molecular and Structural Biology Division, Central Drug Research Institute, Lucknow 226001, India c Department of Chemistry, University of Durham, Durham DH1 3LE, UK |
| 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. |
| Keywords: | Uracil Thiouracil Pyrimidin-2 4-dione Synthesis Crystal structure |
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