6-甲基-2,3,4,9-四氢-1H-咔唑-1-硫酮
6-Methyl-2,3,4,9-tetra-hydro-1H-carbazole-1-thione.
作者信息
Archana R, Prabakaran K, Rajendra Prasad K J, Thiruvalluvar A, Butcher R J
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1642. doi: 10.1107/S1600536811019246. Epub 2011 Jun 11.
In the title mol-ecule, C(13)H(13)NS, the dihedral angle between the benzene ring and the fused pyrrole ring is 0.71 (8)° and the cyclo-hexene ring is in an envelope form. The (CH(2))(3) atoms of the cyclo-hexene ring are disordered over two positions; the site-occupancy factor for the major component refined to 0.862 (4). In the crystal, inter-molecular N-H⋯S hydrogen bonds lead to the formation of centrosymmetric aggregates via an R(2) (2)(10) ring.
在标题分子C(13)H(13)NS中，苯环与稠合吡咯环之间的二面角为0.71 (8)°，环己烯环呈信封式构象。环己烯环上的(CH(2))(3)原子在两个位置上无序；主要组分的占有率精修后为0.862 (4)。在晶体中，分子间的N-H⋯S氢键通过R(2) (2)(10)环导致形成中心对称的聚集体。
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