Shan Shang, Tian Yu-Liang, Wang Wen-Long, Wang Shan-Heng
College of Chemical Engineering and Materials Science, Zhejiang University of Technology, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):o53. doi: 10.1107/S160053680706059X.
The asymmetric unit of the title compound, C(9)H(9)N(3)O(2)S(2), contains two independent mol-ecules, A and B, with similar bond dimensions. In both mol-ecules, the nitro group is tilted with respect to the aromatic ring [dihedral angles 32.0 (1)° in mol-ecule A and 34.0 (1)° in mol-ecule B]. The dithio-carbazate unit is nearly coplanar with the aromatic ring in both mol-ecules. For mol-ecule B, pairs of mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds about a centre of symmetry to form a dimer, whereas mol-ecules A are not involved in hydrogen bonding in the crystal structure.
标题化合物C(9)H(9)N(3)O(2)S(2)的不对称单元包含两个独立的分子，A和B，它们具有相似的键长。在两个分子中，硝基相对于芳环倾斜[分子A中的二面角为32.0 (1)°，分子B中的二面角为34.0 (1)°]。在两个分子中，二硫代氨基脲单元与芳环几乎共面。对于分子B，分子对通过N-H⋯O和C-H⋯O氢键围绕对称中心相连形成二聚体，而在晶体结构中分子A不参与氢键作用。
