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(E)-3-(2,4-二甲氧基苯基)-1-(1-羟基萘-2-基)丙-2-烯-1-酮的晶体结构

Crystal structure of (E)-3-(2,4-di-meth-oxy-phen-yl)-1-(1-hy-droxy-naphthalen-2-yl)prop-2-en-1-one.

作者信息

Koh Dongsoo

机构信息

Department of Applied Chemistry, Dongduk Women's University, Seoul 136-714, Republic of Korea.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Aug 23;70(Pt 9):o1034-5. doi: 10.1107/S1600536814018704. eCollection 2014 Sep 1.

DOI:10.1107/S1600536814018704
PMID:25309211
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4186154/
Abstract

In the title compound, C21H18O4, the C=C bond of the central enone group adopts an E conformation. The dihedral angle formed by the benzene ring and the naphthalene ring system is 6.60 (2)°. The meth-oxy groups on the benzene ring are essentially coplanar with the ring; the C-C-O-C torsion angles being 1.6 (2) and -177.1 (1)°. The hy-droxy group attached to the naphthalene ring is involved in an intra-molecular O-H⋯O hydrogen bond. The relative conformation of the two double bonds in the enone group is s-cisoid. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains propagating along [010].

摘要

在标题化合物C21H18O4中,中央烯酮基团的C=C键呈E构象。苯环与萘环系统形成的二面角为6.60 (2)°。苯环上的甲氧基与环基本共面;C-C-O-C扭转角分别为1.6 (2)°和 -177.1 (1)°。连接在萘环上的羟基参与分子内O-H⋯O氢键。烯酮基团中两个双键的相对构象为s-顺oid。在晶体中,弱C-H⋯O氢键将分子连接成沿[010]方向延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/889c/4186154/f01e0dd53f51/e-70-o1034-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/889c/4186154/baf451ec6978/e-70-o1034-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/889c/4186154/f01e0dd53f51/e-70-o1034-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/889c/4186154/baf451ec6978/e-70-o1034-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/889c/4186154/f01e0dd53f51/e-70-o1034-fig2.jpg

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