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Crystal structure of N-[4-amino-5-cyano-6-(methyl-sulfan-yl)pyridin-2-yl]acetamide hemihydrate.

作者信息

Akkurt Mehmet, Knight Kyle S, Mohamed Shaaban K, Hussein Bahgat R M, Albayati Mustafa R

机构信息

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

Department of Chemistry, The University of Tennessee at Chattanooga, Chattanooga, TN 37403, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Feb 13;71(Pt 3):o171-2. doi: 10.1107/S205698901500256X. eCollection 2015 Mar 1.

Abstract

The title compound, C9H10N4OS·0.5H2O, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit, together with a water mol-ecule of crystallization. The acetamide moiety, which has an extended conformation, is inclined to the pyridine ring by 7.95 (16)° in mol-ecule A and by 1.77 (16)° in mol-ecule B. In the crystal, the A and B mol-ecules are linked by two N-H⋯Ocarbon-yl hydrogen bonds, forming a dimer. The dimers are linked via N-H⋯N hydrogen bonds, forming ribbons that are linked by N-H⋯Owater hydrogen bonds to form sheets parallel to (110). The sheets are linked by O-H⋯N hydrogen bonds, forming slabs, and between the slabs there are weak slipped parallel π-π inter-actions [inter-centroid distance = 3.734 (2) Å, inter-planar distance = 3.3505 (11) Å and slippage = 1.648 Å], forming a three-dimensional structure.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/918c/4350750/bb55b8acbf65/e-71-0o171-fig1.jpg

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