Received 18 October 2012
aDepartment of Chemistry, M.M.V., Banaras Hindu University, Varanasi 221 005, India,bErciyes University, Faculty of Sciences, Department of Physics, 38039 Kayseri, Turkey, and cDepartment of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA
Correspondence e-mail: firstname.lastname@example.org
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-HN hydrogen bonds. In addition the water O atom is further linked by N-HO 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-HO hydrogen bonds.
For general background to aroylthiourea and its derivatives, see: Aly et al. (2007). For related structures, see: Koch (2001); Pérez et al. (2008). For their biological activity, see: Saeed et al. (2008); Gu et al. (2007); Xu et al. (2004); Yan & Xue (2008).
Data collection: CrysAlis PRO (Agilent, 2011); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: ZS2240 ).
DPS and SP are grateful to Banaras Hindu University, Varanasi, for financial support. RJB acknowledges the NSF- MRI program (grant No. CHE0619278) for funds to purchase the X-ray diffractometer.
Agilent (2011). CrysAlis PRO. Agilent Technologies, Yarnton, England.
Aly, A. A., Ahmed, E. K., El-Mokadem, K. M. & Hegazy, M. E. F. (2007). J. Sulfur Chem. 28, 73-93.
Gu, C.-L., Liu, L., Sui, Y., Zhao, J.-L. D., Wang, D. & Chen, Y.-J. (2007). Tetrahedron, 18, 455-463.
Koch, K. R. (2001). Coord. Chem. Rev. 216-217, 473-488.
Pérez, H., Mascarenhas, Y., Estévez-Hernández, O., Santos Jr, S. & Duque, J. (2008). Acta Cryst. E64, o695.
Saeed, S., Bhatti, M. H., Yunus, U. & Jones, P. G. (2008). Acta Cryst. E64, o1485.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Xu, Y., Hua, W., Liu, X. & Zhu, D. (2004). Chin. J. Org. Chem. 24, 1217-1222.
Yan, L. & Xue, S.-J. (2008). Chin. J. Struct. Chem. 27, 543-546.