Abdul Manan Mohd Abdul Fatah, Cordes David B, McKay Aidan P
Faculty of Applied Sciences, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia.
EaStCHEM School of Chemistry, University of St Andrews, St Andrews, Fife KY16 9ST, United Kingdom.
IUCrdata. 2024 Aug 16;9(Pt 8):x240787. doi: 10.1107/S2414314624007879. eCollection 2024 Aug.
The title compound, CHBrNOS, a brominated di-thio-carbazate imine deriv-ative, was obtained from the condensation reaction of -methyl-dithio-carbazate (SMDTC) and 5-bromo-isatin. The essentially planar mol-ecule exhibits a configuration, with the di-thio-carbazate and 5-bromo-isatin fragments located on the same sides of the C=N azomethine bond, which allows for the formation of an intra-molecular N-H⋯O (b = bromo-isatin) hydrogen bond generating an (6) ring motif. In the crystal, adjacent mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming dimers characterized by an (8) loop motif. In the extended structure, mol-ecules are linked into a three-dimensional network by C-H⋯S and C-H⋯Br hydrogen bonds, C-Br⋯S halogen bonds and aromatic π-π stacking.
标题化合物CHBrNOS，一种溴化二硫代氨基脲亚胺衍生物，由α-甲基二硫代氨基脲（SMDTC）与5-溴异吲哚酮的缩合反应制得。该分子基本呈平面构型，具有Z构型，二硫代氨基脲和5-溴异吲哚酮片段位于C=N偶氮甲碱键的同一侧，这使得分子内形成N-H⋯O（b = 溴异吲哚酮）氢键，生成一个（6）环结构单元。在晶体中，相邻分子通过成对的N-H⋯O氢键相连，形成以（8）环结构单元为特征的二聚体。在扩展结构中，分子通过C-H⋯S和C-H⋯Br氢键、C-Br⋯S卤键以及芳香π-π堆积连接成三维网络。
