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1-(5-溴-2-羟基-4-甲氧基苯基)乙酮

1-(5-Bromo-2-hydr-oxy-4-methoxy-phen-yl)ethanone.

作者信息

Qing Wei-Xia, Liu Yan-Zhao, Yao Su-Mei

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65(Pt 8):o2004. doi: 10.1107/S1600536809029067.

DOI:10.1107/S1600536809029067
PMID:21583675
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977251/
Abstract

In the title compound, C(9)H(9)BrO(3), the dihedral angle between the ethanone group and the aromatic ring is 3.6 (2)°. The mol-ecular conformation is consolidated by an intra-molecular O-H⋯O hydrogen bond. The crystal structure is stabilized by π-π inter-actions between the benzene rings [centroid-centroid distance = 3.588 (2) Å].

摘要

在标题化合物C₉H₉BrO₃中,乙酮基团与芳环之间的二面角为3.6 (2)°。分子构象通过分子内O—H⋯O氢键得以巩固。晶体结构通过苯环之间的π-π相互作用得以稳定[质心-质心距离 = 3.588 (2) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/debe/2977251/2df78f176d61/e-65-o2004-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/debe/2977251/2df78f176d61/e-65-o2004-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/debe/2977251/2df78f176d61/e-65-o2004-fig1.jpg

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本文引用的文献

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Structure validation in chemical crystallography.化学晶体学中的结构验证
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