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

• Main Authors: Mehmet Akkurt, Kyle S. Knight, Shaaban K. Mohamed, Bahgat R. M. Hussein, Mustafa R. Albayati
• Format: Article
• Language: English
• Published: International Union of Crystallography 2015-03-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: crystal structure; poly-functional pyridines; acetamide; disorder; hydrogen bonding
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S205698901500256X

The title compound, C9H10N4OS·0.5H2O, 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)° in molecule A and by 1.77 (16)° in molecule B. In the crystal, the A and B molecules are linked by two N—H...Ocarbonyl 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 interactions [inter-centroid distance = 3.734 (2) Å, interplanar distance = 3.3505 (11) Å and slippage = 1.648 Å], forming a three-dimensional structure.