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

4a-Hydroxy-9-(4-hydroxyphenyl)-4,4a,5,6,9,9a-hexahydro-3H-xanthene-1,8(2H,7H)-dione.

作者信息

Wang Liying, Lu Weicheng, Yang Yan, 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 Oct 1;67(Pt 10):o2751. doi: 10.1107/S1600536811038335. Epub 2011 Sep 30.

Abstract

The title compound, C(19)H(20)O(5), was synthesized by the reaction of 1,3-cyclo-hexa-nedione and 4-hy-droxy-benzaldehyde in the presence of PdCl(2) and thio-urea. The tetra-hydro-pyran ring and the six-membered cyclo-hexene ring adopt envelope conformations, and the six-membered cyclo-hexane ring is in a chair conformation. The crystal packing is stabilized by classical inter-molecular O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions.

摘要

标题化合物C(19)H(20)O(5)是由1,3-环己二酮与4-羟基苯甲醛在PdCl(2)和硫脲存在下反应合成的。四氢吡喃环和六元环己烯环呈信封式构象,六元环己烷环呈椅式构象。晶体堆积通过经典的分子间O-H⋯O氢键和弱的C-H⋯O相互作用得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0078/3201323/0af0e116e785/e-67-o2751-fig1.jpg

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