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(E)-3-Hydroxy-5,5-dimethyl-2-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one
Five of the atoms of the six-membered cyclohexene ring of the title compound, C(17)H(20)O(2), are essentially coplanar (r.m.s. deviation = 0.006 Å), with the sixth (the dimethylmethyl C atom) deviating from the mean plane of the five atoms by 0.610 (2) Å. This plane is nearly perpendicular to the...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200708/ https://www.ncbi.nlm.nih.gov/pubmed/22058958 http://dx.doi.org/10.1107/S160053681103220X |
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author | Zonouzi, Afsaneh Izakiana, Zakieh Ng, Seik Weng |
author_facet | Zonouzi, Afsaneh Izakiana, Zakieh Ng, Seik Weng |
author_sort | Zonouzi, Afsaneh |
collection | PubMed |
description | Five of the atoms of the six-membered cyclohexene ring of the title compound, C(17)H(20)O(2), are essentially coplanar (r.m.s. deviation = 0.006 Å), with the sixth (the dimethylmethyl C atom) deviating from the mean plane of the five atoms by 0.610 (2) Å. This plane is nearly perpendicular to the cinnamyl portion, the two planes being aligned at 85.1 (1)°. Two molecules are linked by an O—H⋯O hydrogen bond about a center of inversion. The cyclohexene ring is disordered over two directly overlapping positions. As a result, the hydroxy group and the keto O atom cannot be distinguished from one another. |
format | Online Article Text |
id | pubmed-3200708 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32007082011-11-06 (E)-3-Hydroxy-5,5-dimethyl-2-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one Zonouzi, Afsaneh Izakiana, Zakieh Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers Five of the atoms of the six-membered cyclohexene ring of the title compound, C(17)H(20)O(2), are essentially coplanar (r.m.s. deviation = 0.006 Å), with the sixth (the dimethylmethyl C atom) deviating from the mean plane of the five atoms by 0.610 (2) Å. This plane is nearly perpendicular to the cinnamyl portion, the two planes being aligned at 85.1 (1)°. Two molecules are linked by an O—H⋯O hydrogen bond about a center of inversion. The cyclohexene ring is disordered over two directly overlapping positions. As a result, the hydroxy group and the keto O atom cannot be distinguished from one another. International Union of Crystallography 2011-08-17 /pmc/articles/PMC3200708/ /pubmed/22058958 http://dx.doi.org/10.1107/S160053681103220X Text en © Zonouzi 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 Zonouzi, Afsaneh Izakiana, Zakieh Ng, Seik Weng (E)-3-Hydroxy-5,5-dimethyl-2-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one |
title | (E)-3-Hydroxy-5,5-dimethyl-2-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one |
title_full | (E)-3-Hydroxy-5,5-dimethyl-2-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one |
title_fullStr | (E)-3-Hydroxy-5,5-dimethyl-2-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one |
title_full_unstemmed | (E)-3-Hydroxy-5,5-dimethyl-2-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one |
title_short | (E)-3-Hydroxy-5,5-dimethyl-2-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one |
title_sort | (e)-3-hydroxy-5,5-dimethyl-2-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200708/ https://www.ncbi.nlm.nih.gov/pubmed/22058958 http://dx.doi.org/10.1107/S160053681103220X |
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