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

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AKKURT M. , Knight K. S. , Mohamed S. K. , Hussein B. R. M. , Albayati M. R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.71, 2015 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 71
  • Publication Date: 2015
  • Doi Number: 10.1107/s205698901500256x


The title compound, C9H10N4OS center dot 0.5H(2)O, crystallizes with two independent molecules (A and B) in the asymmetric unit, together with a water molecule of crystallization. The acetamide moiety, which has an extended conformation, is inclined to the pyridine ring by 7.95 (16)degrees in molecule A and by 1.77 (16)degrees in molecule B. In the crystal, the A and B molecules are linked by two N-H center dot center dot center dot O-carbonyl hydrogen bonds, forming a dimer. The dimers are linked via N-H center dot center dot center dot N hydrogen bonds, forming ribbons that are linked by N-H center dot center dot center dot O-water hydrogen bonds to form sheets parallel to (110). The sheets are linked by O-H center dot center dot center dot N hydrogen bonds, forming slabs, and between the slabs there are weak slipped parallel pi-pi interactions [inter-centroid distance = 3.734 (2) angstrom, interplanar distance = 3.3505 (11) angstrom and slippage = 1.648 angstrom], forming a three-dimensional structure.