Huang Hui-Ming, Luo Shi-Yuan, Li Shao-Hua, Liu Cheng-Mei, Tu Guo-Gang
Acta Crystallogr Sect E Struct Rep Online. 2009 Jan 17;65(Pt 2):o325. doi: 10.1107/S160053680900124X.
In the structure of the title compound, C(17)H(13)BrN(4)O(2)S, the dihedral angle between the two benzene rings is 38.5 (1)°; the angle between the 4-bromo-benzene and thia-diazole rings is 1.3 (1)°. The conformations of the N-H and C=O bonds are anti with respect to each other. The structure displays inter-molecular N-H⋯O and C-H⋯O hydrogen bonding, with both interactions leading to inversion dimers.
在标题化合物C(17)H(13)BrN(4)O(2)S的结构中,两个苯环之间的二面角为38.5 (1)°;4-溴苯环与噻二唑环之间的夹角为1.3 (1)°。N-H键和C=O键的构象彼此呈反式。该结构呈现分子间N-H⋯O和C-H⋯O氢键,这两种相互作用均导致形成反演二聚体。