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

The title compound, C(9)H(7)N(3)OS(3)·0.5H(2)O, 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 m...

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Detalles Bibliográficos
Autores principales: Singh, Durga Prasad, Pratap, Seema, Yildirim, Sema Öztürk, Butcher, Ray J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588839/
https://www.ncbi.nlm.nih.gov/pubmed/23468804
http://dx.doi.org/10.1107/S160053681204500X
Descripción
Sumario:The title compound, C(9)H(7)N(3)OS(3)·0.5H(2)O, 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.