Research Article: 3-(2-Hy­droxy­phen­yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl­idene]amino}­thio­urea monohydrate

Date Published: April 01, 2011

Publisher: International Union of Crystallography

Author(s): Erna Normaya, Yang Farina, Siti Nadiah Abd Halim, Edward R. T. Tiekink.


In the title compound, C13H13N5OS·H2O, the thio­urea mol­ecules closely resemble each other and are approximately planar; the dihedral angles formed between the terminal benzene rings are 7.88 (8) and 7.20 (8)°, respectively. The observed planarity correlates with the presence of bifurcated N—H⋯(O,N) hydrogen bonds. In the crystal, the mol­ecules are connected into supra­molecular double chains via a combination of N—H⋯S (linking the two independent mol­ecules), O—H⋯O and O—H⋯N (linking dimeric aggregates into a supra­molecular chain via hy­droxy–water, water–water and water–pyrazine inter­actions) and O—H⋯S hydrogen bonds (connecting two chains). The chains are further connected by C—H⋯N and C—H⋯S inter­actions.

Partial Text

For biological activity of thio­urea derivatives, see: Venkatachalam et al. (2004 ▶). For related structures, see: Gunasekaran et al. (2010 ▶); Dzulkifli et al. (2011 ▶). For additional geometric analysis, see: Spek (2009 ▶).




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