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

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Singh D. P., Pratap S., YILDIRIM S., Butcher R. J.

Acta Crystallographica Section E: Structure Reports Online, vol.68, no.12, 2012 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 68 Issue: 12
  • Publication Date: 2012
  • Doi Number: 10.1107/s160053681204500x
  • Journal Name: Acta Crystallographica Section E: Structure Reports Online
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Communication Abstracts, Metadex, Directory of Open Access Journals, Civil Engineering Abstracts
  • Erciyes University Affiliated: Yes

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.