Fun Hoong-Kun, Goh Jia Hao, Asiri Abdullah M, Khan Salman A, Khan Khalid A
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 28;66(Pt 5):o1200-1. doi: 10.1107/S1600536810014947.
In the title compound, 2C(24)H(21)N(3)S·C(6)H(6), the two independent Schiff base mol-ecules (A and B) in the asymmetric unit differ in the orientation of the tetra-hydro-benzothio-phene ring system with respect to the carbazole ring system by 180° rotation about the C-C bond in the C-C=N-C linkage. The two mol-ecules also differ in the orientation of the ethyl groups [C-N-C-C torsion angle of 90.7 (3)° in mol-ecule A, and -79.4 (3)° in mol-ecule B]. In mol-ecule B, two methyl-ene C atoms of the cyclo-hexene ring are disordered over two sites with occupancies of 0.58 (1) and 0.42 (1). The cyclo-hexene rings in both mol-ecules adopt half-chair conformations. The dihedral angle between the thio-phene ring and the carbazole ring system is 8.07 (9)° in mol-ecule A [3.10 (9)° in mol-ecule B]. In the crystal structure, the independent mol-ecules are linked into dimers by inter-molecular C-H⋯N hydrogen bonds. In addition, C-H⋯π inter-actions are observed.
在标题化合物2C(24)H(21)N(3)S·C(6)H(6)中，不对称单元中的两个独立席夫碱分子（A和B），四氢苯并噻吩环系统相对于咔唑环系统的取向，通过C-C=N-C键中的C-C键旋转180°而不同。这两个分子的乙基取向也不同[A分子中C-N-C-C扭转角为90.7 (3)°，B分子中为-79.4 (3)°]。在B分子中，环己烯环的两个亚甲基C原子在两个位置上无序，占有率分别为0.58 (1)和0.42 (1)。两个分子中的环己烯环均采用半椅构象。噻吩环与咔唑环系统之间的二面角在A分子中为8.07 (9)°[在B分子中为3.10 (9)°]。在晶体结构中，独立分子通过分子间C-H⋯N氢键连接成二聚体。此外，还观察到C-H⋯π相互作用。
