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

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 ?-? 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.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC4350750 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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

Akkurt Mehmet M Knight Kyle S KS Mohamed Shaaban K SK Hussein Bahgat R M BR Albayati Mustafa R MR

Acta crystallographica. Section E, Crystallographic communications 20150213 Pt 3

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 ...[more]

PMID: 25844232

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Crystal structures of 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-N-(2,4-di-methyl-phen-yl)acetamide and 2-[(4,6-di-amino-pyrimidin-2-yl)sulfan-yl]-N-(3-meth-oxy-phen-yl)acetamide.

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