N-(1,3-Thia-zol-2-yl)-N'-[(thio-phen-2-yl)carbon-yl]thio-urea hemihydrate.

ABSTRACT: The title compound, C9H7N3OS3·0.5H2O, crystallizes with two independent but similar mol-ecules in the asymmetric unit, both of which are linked by a water mol-ecule 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 mol-ecules, forming a tetra-meric unit. These tetra-meric units then form infinite ribbons parallel to the ac plane.The dihedral angle between the thio-phenoyl and thia-zolyl rings is 12.15?(10) and 21.69?(11)° in mol-ecules A and B, respectively. The central thio-urea core makes dihedral angles of 5.77?(11) and 8.61?(9)°, respectively, with the thio--phen-oyl and thia-zolyl rings in mol-ecule A and 8.41?(10) and 13.43?(12)° in mol-ecule B. Each mol-ecule adopts a trans-cis geometry with respect to the position of thio-phenoyl and thia-zole groups relative to the S atom across the thio-urea C-N bonds. This geometry is stabilized by intra-molecular N-H?O hydrogen bonds.

SUBMITTER: Singh DP 

PROVIDER: S-EPMC3588839 | biostudies-other | 2012 Dec

REPOSITORIES: biostudies-other