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(2E)-1-(6-氯-2-甲基-4-苯基喹啉-3-基)-3-苯基-2-丙烯-1-酮

(2E)-1-(6-Chloro-2-methyl-4-phenyl-quinolin-3-yl)-3-phenyl-prop-2-en-1-one.

作者信息

Viji A J, Sarveswari S, Vijayakumar V, Tan Kong Wai, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1780. doi: 10.1107/S160053681002386X.

DOI:10.1107/S160053681002386X
PMID:21587992
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006996/
Abstract

In the title compound, C(25)H(18)ClNO, the conformation about the C=C double bond is E. Significant twists are evident in the mol-ecule, with the benzene ring forming a dihedral angle of 53.92 (11)° with the quinolinyl residue. Further, the chalcone residue is approximately perpendicular to the quinolinyl residue [C(q)-C(q)-C(c)-O(c) torsion angle = -104.5 (3)°, where q = quinolinyl and c = chalcone]. In the crystal, the presence of C-H⋯O and C-H⋯π inter-actions leads to supra-molecular layers lying parallel to (02).

摘要

在标题化合物C₂₅H₁₈ClNO中,C=C双键的构象为E型。分子中存在明显的扭曲,苯环与喹啉基残基形成的二面角为53.92 (11)°。此外,查尔酮残基与喹啉基残基近似垂直[C(q)-C(q)-C(c)-O(c)扭转角 = -104.5 (3)°,其中q =喹啉基,c =查尔酮]。在晶体中,C-H⋯O和C-H⋯π相互作用的存在导致形成平行于(02)的超分子层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1a22/3006996/5be6ef975ca6/e-66-o1780-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1a22/3006996/e3a7b0f7d5fa/e-66-o1780-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1a22/3006996/5be6ef975ca6/e-66-o1780-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1a22/3006996/e3a7b0f7d5fa/e-66-o1780-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1a22/3006996/5be6ef975ca6/e-66-o1780-fig2.jpg

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