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4a-Hy­droxy-9-(2-meth­oxy­phen­yl)-4,4a,5,6,7,8,9,9a-octa­hydro-3H-xanthene-1,8(2H)-dione

In the title compound, C(20)H(22)O(5), an S(6) ring motif is formed by an intra­molecular C—H⋯O hydrogen bond, which contributes to the stabilization of the mol­ecule. In the xanthene system, the cyclo­hexane ring adopts a chair conformation, the cyclo­hexene ring adopts a half-boat conformation and...

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Autores principales: Loh, Wan-Sin, Fun, Hoong-Kun, Reddy, B. Palakshi, Vijayakumar, V., Sarveswari, S.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050262/
https://www.ncbi.nlm.nih.gov/pubmed/21522746
http://dx.doi.org/10.1107/S1600536810050191
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author Loh, Wan-Sin
Fun, Hoong-Kun
Reddy, B. Palakshi
Vijayakumar, V.
Sarveswari, S.
author_facet Loh, Wan-Sin
Fun, Hoong-Kun
Reddy, B. Palakshi
Vijayakumar, V.
Sarveswari, S.
author_sort Loh, Wan-Sin
collection PubMed
description In the title compound, C(20)H(22)O(5), an S(6) ring motif is formed by an intra­molecular C—H⋯O hydrogen bond, which contributes to the stabilization of the mol­ecule. In the xanthene system, the cyclo­hexane ring adopts a chair conformation, the cyclo­hexene ring adopts a half-boat conformation and the tetra­hydro­pyran ring adopts a half-chair conformation. The mean plane of the four essentially planar atoms of the tetra­hydro­pyran ring [r.m.s deviation = 0.092 (1) Å] forms a dihedral angle of 64.13 (6)° with the mean plane of the meth­oxy­phenyl group. In the crystal, inter­molecular O—H⋯O and weak C—H⋯O hydrogen bonds link mol­ecules into chains along the a axis, which are further stabilized by C—H⋯π inter­actions.
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spelling pubmed-30502622011-04-26 4a-Hy­droxy-9-(2-meth­oxy­phen­yl)-4,4a,5,6,7,8,9,9a-octa­hydro-3H-xanthene-1,8(2H)-dione Loh, Wan-Sin Fun, Hoong-Kun Reddy, B. Palakshi Vijayakumar, V. Sarveswari, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(22)O(5), an S(6) ring motif is formed by an intra­molecular C—H⋯O hydrogen bond, which contributes to the stabilization of the mol­ecule. In the xanthene system, the cyclo­hexane ring adopts a chair conformation, the cyclo­hexene ring adopts a half-boat conformation and the tetra­hydro­pyran ring adopts a half-chair conformation. The mean plane of the four essentially planar atoms of the tetra­hydro­pyran ring [r.m.s deviation = 0.092 (1) Å] forms a dihedral angle of 64.13 (6)° with the mean plane of the meth­oxy­phenyl group. In the crystal, inter­molecular O—H⋯O and weak C—H⋯O hydrogen bonds link mol­ecules into chains along the a axis, which are further stabilized by C—H⋯π inter­actions. International Union of Crystallography 2010-12-04 /pmc/articles/PMC3050262/ /pubmed/21522746 http://dx.doi.org/10.1107/S1600536810050191 Text en © Loh et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Loh, Wan-Sin
Fun, Hoong-Kun
Reddy, B. Palakshi
Vijayakumar, V.
Sarveswari, S.
4a-Hy­droxy-9-(2-meth­oxy­phen­yl)-4,4a,5,6,7,8,9,9a-octa­hydro-3H-xanthene-1,8(2H)-dione
title 4a-Hy­droxy-9-(2-meth­oxy­phen­yl)-4,4a,5,6,7,8,9,9a-octa­hydro-3H-xanthene-1,8(2H)-dione
title_full 4a-Hy­droxy-9-(2-meth­oxy­phen­yl)-4,4a,5,6,7,8,9,9a-octa­hydro-3H-xanthene-1,8(2H)-dione
title_fullStr 4a-Hy­droxy-9-(2-meth­oxy­phen­yl)-4,4a,5,6,7,8,9,9a-octa­hydro-3H-xanthene-1,8(2H)-dione
title_full_unstemmed 4a-Hy­droxy-9-(2-meth­oxy­phen­yl)-4,4a,5,6,7,8,9,9a-octa­hydro-3H-xanthene-1,8(2H)-dione
title_short 4a-Hy­droxy-9-(2-meth­oxy­phen­yl)-4,4a,5,6,7,8,9,9a-octa­hydro-3H-xanthene-1,8(2H)-dione
title_sort 4a-hy­droxy-9-(2-meth­oxy­phen­yl)-4,4a,5,6,7,8,9,9a-octa­hydro-3h-xanthene-1,8(2h)-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050262/
https://www.ncbi.nlm.nih.gov/pubmed/21522746
http://dx.doi.org/10.1107/S1600536810050191
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