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(E)-1-(2,5-二氯-3-噻吩基)-3-(3,4-二甲氧基苯基)丙-2-烯-1-酮

(E)-1-(2,5-Dichloro-3-thien-yl)-3-(3,4-dimeth-oxy-phen-yl)prop-2-en-1-one.

作者信息

Harrison William T A, Chidan Kumar C S, Yathirajan H S, Mayekar A N, Narayana B

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 4;66(Pt 10):o2479. doi: 10.1107/S1600536810035142.

DOI:10.1107/S1600536810035142
PMID:21587480
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983303/
Abstract

In the title compound, C(15)H(12)Cl(2)O(3)S, the prop-2-en-1-one (enone) fragment is almost planar [C-C-C-O = 2.2 (4)°] and it subtends dihedral angles of 11.9 (2) and 11.0 (2)° with the thio-phene and benzene rings, respectively. The dihedral angle between the aromatic rings is 3.47 (16)°. In the crystal, weak C-H⋯O and C-H⋯Cl inter-actions link the mol-ecules, leading to R(2) (2)(14), R(2) (2)(24) and C(11) supra-molecular motifs occurring within the three-dimensional network. Weak aromatic π-π stacking [centroid-centroid separations = 3.6823 (15) and 3.8722 (15) Å] may also help to consolidate the packing.

摘要

在标题化合物C₁₅H₁₂Cl₂O₃S中,2-丙烯-1-酮(烯酮)片段几乎呈平面结构[C-C-C-O = 2.2 (4)°],它与噻吩环和苯环分别形成11.9 (2)°和11.0 (2)°的二面角。芳香环之间的二面角为3.47 (16)°。在晶体中,弱的C-H⋯O和C-H⋯Cl相互作用连接分子,导致在三维网络中出现R₂²(14)、R₂²(24)和C₁₁超分子基序。弱的芳香π-π堆积[质心-质心间距 = 3.6823 (15)和3.8722 (15) Å]也可能有助于巩固堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b79/2983303/5d316f5bf1cf/e-66-o2479-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b79/2983303/5d316f5bf1cf/e-66-o2479-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b79/2983303/5d316f5bf1cf/e-66-o2479-fig1.jpg

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