Ziaulla Mohamed, Banu Afshan, Begum Noor Shahina, Panchamukhi Shridhar I, Khazi I M
Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 23;67(Pt 3):o699. doi: 10.1107/S1600536811006076.
In the title compound, C(10)H(12)N(2)S, one of the C atoms of the cyclo-hexene ring (at position 6) and the methyl group attached to it are disordered over two sets of sites in a 0.650 (3):0.350 (3) ratio. The cyclo-hexene ring in both the major and minor occupancy conformers adopts a half-chair conformation. The thio-phene ring is essentially planar (r.m.s. deviation = 0.05 Å). In the crystal, N-H⋯N hydrogen bonds involving the amino groups result in inversion dimers with R(2) (2)(12) graph-set motif. Further N-H⋯N hydrogen bonds involving the amino and carbonitrile groups generate zigzag chains along the a axis.
在标题化合物C₁₀H₁₂N₂S中，环己烯环上的一个C原子（位于6位）及其相连的甲基在两组位置上无序，比例为0.650 (3):0.350 (3)。主要和次要占据构象体中的环己烯环均采用半椅式构象。噻吩环基本呈平面状（均方根偏差 = 0.05 Å）。在晶体中，涉及氨基的N—H⋯N氢键导致形成具有R₂²(12) 图形集 motif的反演二聚体。涉及氨基和腈基的进一步N—H⋯N氢键沿a轴生成锯齿链。
