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9-(4-氯苯基)-4a-羟基-4,4a,5,6,9,9a-六氢-3H-呫吨-1,8(2H,7H)-二酮

9-(4-Chloro-phen-yl)-4a-hy-droxy-4,4a,5,6,9,9a-hexa-hydro-3H-xanthene-1,8(2H,7H)-dione.

作者信息

Yang Yan, Lu Weicheng, Lian Chaomei, Zhu Yulin

机构信息

School of Chemistry and Environment, South China Normal University, Guangzhou 510006, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2386. doi: 10.1107/S1600536811031977. Epub 2011 Aug 27.

DOI:10.1107/S1600536811031977
PMID:22058985
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3200887/
Abstract

In the title compound, C(19)H(19)ClO(4), the central fused ring and the attached cyclo-hexene ring adopt envelope conformations, while the cyclo-hexane ring adopts a chair conformation. The crystal packing is stabilized by O-H⋯O hydrogen bonds, which link the mol-ecules into a chain along the b axis. Weak C-H⋯O bonds also occur.

摘要

在标题化合物C(19)H(19)ClO(4)中，中心稠环和相连的环己烯环呈信封式构象，而环己烷环呈椅式构象。晶体堆积通过O—H⋯O氢键得以稳定，这些氢键将分子沿b轴连接成链。还存在弱的C—H⋯O键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/468b/3200887/2e522b7e3e4b/e-67-o2386-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/468b/3200887/010d5597bf98/e-67-o2386-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/468b/3200887/2e522b7e3e4b/e-67-o2386-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/468b/3200887/010d5597bf98/e-67-o2386-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/468b/3200887/2e522b7e3e4b/e-67-o2386-fig2.jpg

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