Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)


organic compounds



zs2240 scheme

Acta Cryst. (2012). E68, o3295    [ doi:10.1107/S160053681204500X ]

N-(1,3-Thiazol-2-yl)-N'-[(thiophen-2-yl)carbonyl]thiourea hemihydrate

D. P. Singh, S. Pratap, S. Ö. Yildirim and R. J. Butcher

Abstract: The title compound, C9H7N3OS3·0.5H2O, crystallizes with two independent but similar molecules in the asymmetric unit, both of which are linked by a water molecule through O-H...N hydrogen bonds. In addition the water O atom is further linked by N-H...O hydrogen bonds to two additional main molecules, forming a tetrameric unit. These tetrameric units then form infinite ribbons parallel to the ac plane.The dihedral angle between the thiophenoyl and thiazolyl rings is 12.15 (10) and 21.69 (11)° in molecules A and B, respectively. The central thiourea core makes dihedral angles of 5.77 (11) and 8.61 (9)°, respectively, with the thiophenoyl and thiazolyl rings in molecule A and 8.41 (10) and 13.43 (12)° in molecule B. Each molecule adopts a trans-cis geometry with respect to the position of thiophenoyl and thiazole groups relative to the S atom across the thiourea C-N bonds. This geometry is stabilized by intramolecular N-H...O hydrogen bonds.


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