(E)-4-(2-Chloro-1-hy­droxy-2,6,6-tri­methyl­cyclo­hex­yl)but-3-en-2-one

In the title mol­ecule, C(13)H(21)ClO(2), there is an intra­molecular C—H⋯Cl hydrogen bond. The conformation about the C=C bond is E and the six-membered ring has a chair conformation. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming inversion dimers, which are consoli...

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Detalles Bibliográficos
Autores principales: Liu, Shan, Yang, Xiao-Yan, Zhang, Yu-Ling
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589057/
https://www.ncbi.nlm.nih.gov/pubmed/23476293
http://dx.doi.org/10.1107/S1600536812048544
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author Liu, Shan
Yang, Xiao-Yan
Zhang, Yu-Ling
author_facet Liu, Shan
Yang, Xiao-Yan
Zhang, Yu-Ling
author_sort Liu, Shan
collection PubMed
description In the title mol­ecule, C(13)H(21)ClO(2), there is an intra­molecular C—H⋯Cl hydrogen bond. The conformation about the C=C bond is E and the six-membered ring has a chair conformation. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming inversion dimers, which are consolidated by C—H⋯O hydrogen bonds. The dimers are linked via C—H.·O hydrogen bonds, forming chains along [100].
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spelling pubmed-35890572013-03-08 (E)-4-(2-Chloro-1-hy­droxy-2,6,6-tri­methyl­cyclo­hex­yl)but-3-en-2-one Liu, Shan Yang, Xiao-Yan Zhang, Yu-Ling Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(13)H(21)ClO(2), there is an intra­molecular C—H⋯Cl hydrogen bond. The conformation about the C=C bond is E and the six-membered ring has a chair conformation. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming inversion dimers, which are consolidated by C—H⋯O hydrogen bonds. The dimers are linked via C—H.·O hydrogen bonds, forming chains along [100]. International Union of Crystallography 2012-11-30 /pmc/articles/PMC3589057/ /pubmed/23476293 http://dx.doi.org/10.1107/S1600536812048544 Text en © Liu et al. 2012 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
Liu, Shan
Yang, Xiao-Yan
Zhang, Yu-Ling
(E)-4-(2-Chloro-1-hy­droxy-2,6,6-tri­methyl­cyclo­hex­yl)but-3-en-2-one
title (E)-4-(2-Chloro-1-hy­droxy-2,6,6-tri­methyl­cyclo­hex­yl)but-3-en-2-one
title_full (E)-4-(2-Chloro-1-hy­droxy-2,6,6-tri­methyl­cyclo­hex­yl)but-3-en-2-one
title_fullStr (E)-4-(2-Chloro-1-hy­droxy-2,6,6-tri­methyl­cyclo­hex­yl)but-3-en-2-one
title_full_unstemmed (E)-4-(2-Chloro-1-hy­droxy-2,6,6-tri­methyl­cyclo­hex­yl)but-3-en-2-one
title_short (E)-4-(2-Chloro-1-hy­droxy-2,6,6-tri­methyl­cyclo­hex­yl)but-3-en-2-one
title_sort (e)-4-(2-chloro-1-hy­droxy-2,6,6-tri­methyl­cyclo­hex­yl)but-3-en-2-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589057/
https://www.ncbi.nlm.nih.gov/pubmed/23476293
http://dx.doi.org/10.1107/S1600536812048544
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