Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)

organic compounds

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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