Vijayakumar S, Murugavel S, Selvakumar R, Bakthadoss M
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2362. doi: 10.1107/S1600536812029844. Epub 2012 Jul 7.
In the title compound, C(13)H(8)N(2)O(2)S, the essentially planar benzothia-zole system [maximum deviation = -0.012 (1) Å for the S atom] is oriented at a dihedral angle of 48.3 (1)° with respect to the benzene ring. The nitro group is substanti-ally twisted from the plane of its attached benzene ring [dihedral angle = 52.0 (1)°]. The crystal packing features C-H⋯O hydrogen bonds, which generate C(6) helical chains propagating along [010]. Weak C-H⋯π inter-actions also occur in the crystal.
在标题化合物C(13)H(8)N(2)O(2)S中，基本呈平面状的苯并噻唑体系（S原子的最大偏差为 -0.012 (1) Å）相对于苯环的二面角为48.3 (1)°。硝基与其相连苯环的平面有较大扭曲（二面角 = 52.0 (1)°）。晶体堆积具有C—H⋯O氢键，形成了沿[010]方向延伸的C(6)螺旋链。晶体中还存在弱的C—H⋯π相互作用。
