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Updated: May 13, 2026

Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
N-(1,3-Thia-zol-2-yl)-N'-[(thio-phen-2-yl)carbon-yl]thio-urea hemihydrate
Durga Prasad Singh1, Seema Pratap, Sema Öztürk Yildirim
1Department of Chemistry, M.M.V., Banaras Hindu University, Varanasi 221 005, India.
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.
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