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(E)-1-(4-溴苯基)-3-(2,4,6-三甲氧基苯基)丙-2-烯-1-酮

(E)-1-(4-Bromo-phen-yl)-3-(2,4,6-trimethoxy-phen-yl)prop-2-en-1-one.

作者信息

Chantrapromma Suchada, Suwunwong Thitipone, Karalai Chatchanok, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 28;65(Pt 4):o893-4. doi: 10.1107/S1600536809010496.

DOI:10.1107/S1600536809010496
PMID:21582601
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968789/
Abstract

The mol-ecule of the title chalcone derivative, C(18)H(17)BrO(4), is twisted, the dihedral angle between the 4-bromo-phenyl and 2,4,6-trimethoxy-phenyl rings being 39.17 (6)°. The three meth-oxy groups are oriented in two different conformations whereby two meth-oxy groups are coplanar, whereas the third is twisted with respect to the attached benzene ring [C-O-C-C torsion angles of -2.84 (18), -2.80 (18) and -9.31 (18)°]. Weak intra-molecular C-H⋯O inter-actions generate two S(5) and one S(6) ring motifs. In the crystal structure, mol-ecules are linked into supra-molecular sheets parallel to the bc plane by weak C-H⋯O inter-actions. These sheets are stacked along the a axis. The crystal structure is further stabilized by weak C-H⋯π inter-actions.

摘要

标题查尔酮衍生物C(18)H(17)BrO(4)的分子呈扭曲状,4-溴苯基与2,4,6-三甲氧基苯基环之间的二面角为39.17 (6)°。三个甲氧基具有两种不同的构象,其中两个甲氧基共面,而第三个相对于相连的苯环呈扭曲状[C-O-C-C扭转角分别为-2.84 (18)°、-2.80 (18)°和-9.31 (18)°]。弱分子内C-H⋯O相互作用产生两个S(5)和一个S(6)环基序。在晶体结构中,分子通过弱C-H⋯O相互作用连接成平行于bc平面的超分子片层。这些片层沿a轴堆叠。晶体结构通过弱C-H⋯π相互作用进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9961/2968789/66c892e018e5/e-65-0o893-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9961/2968789/41e54a8dc634/e-65-0o893-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9961/2968789/66c892e018e5/e-65-0o893-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9961/2968789/41e54a8dc634/e-65-0o893-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9961/2968789/66c892e018e5/e-65-0o893-fig2.jpg

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