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

ABSTRACT: In the title compound, C(20)H(22)O(5), an S(6) ring motif is formed by an intra-molecular C-H?O hydrogen bond, which contributes to the stabilization of the mol-ecule. In the xanthene system, the cyclo-hexane ring adopts a chair conformation, the cyclo-hexene ring adopts a half-boat conformation and the tetra-hydro-pyran ring adopts a half-chair conformation. The mean plane of the four essentially planar atoms of the tetra-hydro-pyran ring [r.m.s deviation = 0.092?(1)?Å] forms a dihedral angle of 64.13?(6)° with the mean plane of the meth-oxy-phenyl group. In the crystal, inter-molecular O-H?O and weak C-H?O hydrogen bonds link mol-ecules into chains along the a axis, which are further stabilized by C-H?? inter-actions.

SUBMITTER: Loh WS 

PROVIDER: S-EPMC3050262 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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

Loh Wan-Sin WS   Fun Hoong-Kun HK   Reddy B Palakshi BP   Vijayakumar V V   Sarveswari S S  

Acta crystallographica. Section E, Structure reports online 20101204 Pt 1

In the title compound, C(20)H(22)O(5), an S(6) ring motif is formed by an intra-molecular C-H⋯O hydrogen bond, which contributes to the stabilization of the mol-ecule. In the xanthene system, the cyclo-hexane ring adopts a chair conformation, the cyclo-hexene ring adopts a half-boat conformation and the tetra-hydro-pyran ring adopts a half-chair conformation. The mean plane of the four essentially planar atoms of the tetra-hydro-pyran ring [r.m.s deviation = 0.092 (1) Å] forms a dihedral angle o  ...[more]

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