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

ABSTRACT: In the title compound, C19H19ClO4, the di-hydro-pyran ring and the cyclo-hexane ring adopt a half-chair conformation and a chair conformation, respectively. The cyclo-hexene ring has an envelope conformation with the central CH2 C atom as the flap. This atom is disordered over two positions [site-occupancy ratio = 0.744 (12):0.256 (12)] above and below the mean plane formed by the other five atoms. In the crystal, O-H⋯O hydrogen bonds between hy-droxy and carbonyl groups link mol-ecules into chains propagating along [001].

SUBMITTER: Liu QL

PROVIDER: S-EPMC3998631 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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

Liu Qiu-Ling QL Wu Xin-Yan XY Gao Feng F Bao Dan D Wang Fang-Ming FM

Acta crystallographica. Section E, Structure reports online 20140315 Pt 4

In the title compound, C19H19ClO4, the di-hydro-pyran ring and the cyclo-hexane ring adopt a half-chair conformation and a chair conformation, respectively. The cyclo-hexene ring has an envelope conformation with the central CH2 C atom as the flap. This atom is disordered over two positions [site-occupancy ratio = 0.744 (12):0.256 (12)] above and below the mean plane formed by the other five atoms. In the crystal, O-H⋯O hydrogen bonds between hy-droxy and carbonyl groups link mol-ecules into cha ...[more]

PMID: 24826146

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