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(2E)-3-(4-氯苯基)-1-(2,4-二甲基喹啉-3-基)丙-2-烯-1-酮

(2E)-3-(4-Chloro-phen-yl)-1-(2,4-dimethyl-quinolin-3-yl)prop-2-en-1-one.

作者信息

Prasath R, Bhavana P, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o796-7. doi: 10.1107/S1600536811007835. Epub 2011 Mar 5.

Abstract

Two independent mol-ecules comprise the asymmetric unit of the title compound, C(20)H(16)ClNO, which differ in the orientation of the chalcone residue with respect to the quinoline ring [the C-C-C(=O)-C torsion angles are 69.5 (2) and 86.0 (2)°]. The configuration about each of the ethyl-ene bonds [1.342 (2) and 1.338 (2) Å] is E. The three-dimensional crystal structure is stabilized by a combination of C-H⋯O, C-H⋯N, C-H⋯π inter-actions and π-π contacts between the independent mol-ecules [Cg(C(6) of quinoline)⋯Cg(C(6) of quinoline) = 3.6719 (11) Å].

摘要

标题化合物C(20)H(16)ClNO的不对称单元由两个独立分子组成,查尔酮残基相对于喹啉环的取向不同[C-C-C(=O)-C扭转角分别为69.5 (2)°和86.0 (2)°]。每个乙烯键[键长分别为1.342 (2)和1.338 (2) Å]的构型均为E型。三维晶体结构通过独立分子之间的C-H⋯O、C-H⋯N、C-H⋯π相互作用以及π-π接触得以稳定[喹啉的Cg(C(6))⋯喹啉的Cg(C(6)) = 3.6719 (11) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9bdb/3099908/f09d88118b55/e-67-0o796-fig1.jpg

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