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10a-羟基-9-(4-甲氧基苯基)-3,4,5,6,7,8a,9,10a-八氢-1H-占吨-1,8(2H)-二酮

10a-Hy-droxy-9-(4-meth-oxy-phen-yl)-3,4,5,6,7,8a,9,10a-octa-hydro-1H-xanthene-1,8(2H)-dione.

作者信息

Fun Hoong-Kun, Ooi Chin Wei, Reddy B Palakshi, Vijayakumar V, Sarveswari S

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2367-8. doi: 10.1107/S160053681203005X. Epub 2012 Jul 7.

Abstract

In the title compound, C(20)H(22)O(5), the tetra-hydro-pyran, cyclo-hexene and cyclo-hexane rings of the xanthene ring system adopt half-chair, half-boat and chair conformations, respectively. The mean plane of the four roughly planar atoms of the tetra-hydro-pyran ring (r.m.s. deviation = 0.111 Å) forms a dihedral angle of 82.91 (4)° with the meth-oxy-benzene group. In the crystal, mol-ecules are linked via O-H⋯O and C-H⋯O hydrogen bonds into sheets lying parallel to the ac plane. The crystal is further consolidated by weak C-H⋯π inter-actions.

摘要

在标题化合物C(20)H(22)O(5)中,呫吨环系中的四氢吡喃环、环己烯环和环己烷环分别采取半椅式、半船式和椅式构象。四氢吡喃环的四个大致平面原子的平均平面(均方根偏差 = 0.111 Å)与甲氧基苯基团形成82.91 (4)°的二面角。在晶体中,分子通过O—H⋯O和C—H⋯O氢键连接成平行于ac平面的片层。晶体通过弱C—H⋯π相互作用进一步巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e3d6/3414299/3ff1a346075d/e-68-o2367-fig1.jpg

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