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.
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 ▶).