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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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. |
format | Text |
id | pubmed-3050262 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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