Ghorab Mostafa M, Al-Said Mansour S, Ghabbour Hazem A, Chia Tze Shyang, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2111. doi: 10.1107/S1600536812026268. Epub 2012 Jun 16.
In the title compound, C(9)H(13)NO(2)S, the mean planes of thio-phene ring [maximum deviation = 0.0042 (10) Å] and eth-oxy-carbonyl group [0.0242 (15) Å] are almost coplanar [dihedral angle between them = 0.68 (11)°]. The H atoms of the two methyl groups attached to the thio-phene ring are each disordered over two orientations with site-occupancy ratios of 0.77 (4):0.23 (4) and 0.84 (4):0.16 (4). An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds into an infinite wave-like chain running parallel to the b-axis direction. The crystal structure also features C-H⋯π inter-actions.
在标题化合物C₉H₁₃NO₂S中，噻吩环的平均平面[最大偏差 = 0.0042(10) Å]与乙氧羰基的平均平面[0.0242(15) Å]几乎共面[它们之间的二面角 = 0.68(11)°]。连接到噻吩环上的两个甲基的H原子各自在两个取向上无序分布，占位比分别为0.77(4):0.23(4)和0.84(4):0.16(4)。分子内N—H⋯O氢键形成一个S(6)环 motif。在晶体中，分子通过N—H⋯O氢键连接成平行于b轴方向的无限波状链。晶体结构还具有C—H⋯π相互作用。
