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, cilt.71, 2015 (ESCI, Scopus) identifier identifier identifier

Özet

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.