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(2E)-1-(2-溴苯基)-3-(3,4,5-三甲氧基苯基)丙-2-烯-1-酮

(2E)-1-(2-Bromo-phen-yl)-3-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.

作者信息

Jasinski Jerry P, Butcher Ray J, Veena K, Narayana B, Yathirajan H S

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 16;66(Pt 7):o1676. doi: 10.1107/S160053681002235X.

DOI:10.1107/S160053681002235X
PMID:21587901
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006788/
Abstract

In the chalcone title compound, C(18)H(17)BrO(4), the dihedral angle between the mean planes of the 2-bromo- and 3,4,5-trimethoxy-substituted benzene rings is 89.3 (1)°. The angles between the mean plane of the prop-2-en-1-one group and the 2-bromo-phenyl and 3,4,5-trimeth-oxy-phenyl ring planes are 59.7 (1) and 40.5 (8)°, respectively. While no classical hydrogen bonds are present, three weak inter-molecular C-H⋯O inter-actions and weak C-H⋯Br and C-H⋯Cg π-ring stacking inter-actions [C-H⋯Cg distance = 3.377 (2) Å] are observed, which contribute to the stability of crystal packing.

摘要

在查尔酮标题化合物C(18)H(17)BrO(4)中,2-溴代苯环和3,4,5-三甲氧基取代苯环的平均平面之间的二面角为89.3 (1)°。2-丙烯-1-酮基团的平均平面与2-溴代苯基和3,4,5-三甲氧基苯基环平面之间的夹角分别为59.7 (1)°和40.5 (8)°。虽然不存在经典氢键,但观察到三种弱分子间C-H⋯O相互作用以及弱C-H⋯Br和C-H⋯Cg π-环堆积相互作用[C-H⋯Cg距离 = 3.377 (2) Å],这些作用有助于晶体堆积的稳定性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90cd/3006788/25cf137f88d3/e-66-o1676-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90cd/3006788/ac6fd20fa141/e-66-o1676-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90cd/3006788/9874ba41012d/e-66-o1676-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90cd/3006788/25cf137f88d3/e-66-o1676-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90cd/3006788/ac6fd20fa141/e-66-o1676-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90cd/3006788/9874ba41012d/e-66-o1676-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90cd/3006788/25cf137f88d3/e-66-o1676-fig3.jpg

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