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

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

作者信息

Sathya S, Reuben Jonathan D, Prathebha K, Jovita J, Usha G

机构信息

PG and Research Department of Physics, Queen Mary's College, Chennai-4, Tamilnadu, India.

Department of Chemistry, Madras Christian College, Chennai-59, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 15;70(Pt 11):o1158-9. doi: 10.1107/S1600536814021953. eCollection 2014 Nov 1.

DOI:10.1107/S1600536814021953
PMID:25484802
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4257319/
Abstract

In the title moleclue, C16H14O4, the dihedral angle between the benzene rings is 16.1 (3)°. The meth-oxy group is essentially coplanar with the benzene ring to which it is attached, with a C-O-C C torsion angle of 5.5 (9)°. In the crystal, mol-ecules are linked by O-H⋯O and bifurcated O-H⋯(O,O) hydrogen bonds, forming a three-dimensional network. The structure was refined as a two-component inversion twin.

摘要

在标题分子C₁₆H₁₄O₄中，苯环之间的二面角为16.1 (3)°。甲氧基与其所连接的苯环基本共面，C—O—C—C扭转角为5.5 (9)°。在晶体中，分子通过O—H⋯O和分叉的O—H⋯(O,O)氢键相连，形成三维网络。该结构作为双组分倒易孪晶进行精修。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8470/4257319/1ce8e78ca328/e-70-o1158-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8470/4257319/39889ac06134/e-70-o1158-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8470/4257319/1ce8e78ca328/e-70-o1158-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8470/4257319/39889ac06134/e-70-o1158-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8470/4257319/1ce8e78ca328/e-70-o1158-fig2.jpg

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