(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...

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Detalles Bibliográficos
Autores principales: Zonouzi, Afsaneh, Izakiana, Zakieh, Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
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.
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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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AT ngseikweng e3hydroxy55dimethyl23phenylprop2en1ylcyclohex2en1one

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