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2-氧代-4-(噻吩-2-基)-1,2,5,6-四氢苯并[h]喹啉-3-甲腈

2-Oxo-4-(thio-phen-2-yl)-1,2,5,6-tetra-hydro-benzo[h]quinoline-3-carbonitrile.

作者信息

Asiri Abdullah M, Faidallah Hassan M, Al-Youbi Abdulrahman O, Alamry Khalid A, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2472. doi: 10.1107/S1600536811033915. Epub 2011 Aug 27.

Abstract

In the mol-ecule of the title compound, C(18)H(12)N(2)OS, the tetra-hydro-benzo[h]quinoline fused-ring system is buckled owing to the ethyl-ene -CH(2)CH(2)- fragment, the benzene ring and the pyridine ring being twisted by 16.0 (1)°. The 4-substituted aromatic ring is bent away from the pyridine ring by 59.5 (2)° (for the major disordered thienyl component) in order to avoid crowding the cyanide substituent. In the crystal, two mol-ecules are linked by a pair of N-H⋯O hydrogen bonds to form a centrosymmetric dimer. The thienyl ring is disordered over two sites in a 72.7 (2):27.3 ratio.

摘要

在标题化合物C(18)H(12)N(2)OS的分子中,由于乙烯基-CH(2)CH(2)-片段,四氢苯并[h]喹啉稠环体系发生扭曲,苯环和吡啶环扭转了16.0 (1)°。4-取代的芳香环与吡啶环弯曲了59.5 (2)°(对于主要无序的噻吩基组分),以避免氰基取代基拥挤。在晶体中,两个分子通过一对N-H⋯O氢键相连形成一个中心对称的二聚体。噻吩环在两个位置上无序,比例为72.7 (2):27.3。

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