Received 20 November 2012
aDepartment of Chemistry, Capital Normal University, Beijing 100048, People's Republic of China, and bKey Laboratory of Terahertz Optoelectronics, Ministry of Education, Department of Physics, Capital Normal University, Beijing 100048, People's Republic of China
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In the title molecule, C7H4N2O2S2, the nitro group is twisted by 5.5 (1)° from the plane of the attached benzene ring. In the crystal, N-HS hydrogen bonds link pairs of molecules into inversion dimers, which are linked by weak C-HO interactions into sheets parallel to (101). The crystal packing exhibits short intermolecular SO contacts of 3.054 (4) Å and - interactions of 3.588 (5) Å between the centroids of the five- and six-membered rings of neighbouring molecules.
For coordination compounds based on 2-mercapto-6-nitrobenzothiazole ligands, see: Ma et al. (2003a,b, 2004). For the structure of the related compound 2-mercapto-benzothiazole, see: Chesick & Donohue (1971).
Data collection: SMART (Bruker, 2007); cell refinement: SAINT-Plus (Bruker, 2007); data reduction: SAINT-Plus; 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: CV5367 ).
This work was supported by the National Natural Science Foundation of China (grant No. 21171119), the National High Technology Research and Development Program 863 of China (grant No. 2012 A A063201), Beijing Personnel Bureau, the National Keystone Basic Research Program (973 Program) under grant Nos. 2007CB310408 and 2006CB302901, and the Committee of Education of the Beijing Foundation of China (grant No. KM201210028020).
Bruker (2007). SMART, SAINT-Plus and SADABS. Bruker AXS Inc., Wisconsin, USA.
Chesick, J. P. & Donohue, J. (1971). Acta Cryst. B27, 1441-1444.
Ma, C. L., Jiang, Q. & Zhang, R. F. (2003a). Can. J. Chem. 81, 825-831.
Ma, C. L., Jiang, Q. & Zhang, R. F. (2003b). Appl. Organomet. Chem. 17, 623-630.
Ma, C. L., Jiang, Q. & Zhang, R. F. (2004). Polyhedron, 23, 779-786.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.