Crystal structure of 3-hy­droxy-2-(4-hy­droxy-3-meth­oxy­phenyl­methyl)-5,5-di­methyl­cyclo­hex-2-enone

In the title compound, C(16)H(20)O(4), a new starting compound for the synthesis of various heterocycles, the partially saturated six-membered ring adopts a sofa conformation. An intra­molecular O—H⋯O hydrogen bond is observed in the guaiacol residue. In the crystal, mol­ecules are assembled into a...

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Autores principales: Stikute, Agnese, Skestere, Karina, Mierina, Inese, Mishnev, Anatoly, Jure, Mara
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6002819/
https://www.ncbi.nlm.nih.gov/pubmed/29951232
http://dx.doi.org/10.1107/S2056989018006941
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author Stikute, Agnese
Skestere, Karina
Mierina, Inese
Mishnev, Anatoly
Jure, Mara
author_facet Stikute, Agnese
Skestere, Karina
Mierina, Inese
Mishnev, Anatoly
Jure, Mara
author_sort Stikute, Agnese
collection PubMed
description In the title compound, C(16)H(20)O(4), a new starting compound for the synthesis of various heterocycles, the partially saturated six-membered ring adopts a sofa conformation. An intra­molecular O—H⋯O hydrogen bond is observed in the guaiacol residue. In the crystal, mol­ecules are assembled into a sheet structure parallel to the ab plane via O—H⋯O hydrogen bonds. The hydrogen-bond pattern is described by an R (4) (4)(28) graph-set motif. The sheets are further linked by C—H⋯O hydrogen bonds into a three-dimensional network.
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spelling pubmed-60028192018-06-27 Crystal structure of 3-hy­droxy-2-(4-hy­droxy-3-meth­oxy­phenyl­methyl)-5,5-di­methyl­cyclo­hex-2-enone Stikute, Agnese Skestere, Karina Mierina, Inese Mishnev, Anatoly Jure, Mara Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(16)H(20)O(4), a new starting compound for the synthesis of various heterocycles, the partially saturated six-membered ring adopts a sofa conformation. An intra­molecular O—H⋯O hydrogen bond is observed in the guaiacol residue. In the crystal, mol­ecules are assembled into a sheet structure parallel to the ab plane via O—H⋯O hydrogen bonds. The hydrogen-bond pattern is described by an R (4) (4)(28) graph-set motif. The sheets are further linked by C—H⋯O hydrogen bonds into a three-dimensional network. International Union of Crystallography 2018-05-15 /pmc/articles/PMC6002819/ /pubmed/29951232 http://dx.doi.org/10.1107/S2056989018006941 Text en © Stikute et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Stikute, Agnese
Skestere, Karina
Mierina, Inese
Mishnev, Anatoly
Jure, Mara
Crystal structure of 3-hy­droxy-2-(4-hy­droxy-3-meth­oxy­phenyl­methyl)-5,5-di­methyl­cyclo­hex-2-enone
title Crystal structure of 3-hy­droxy-2-(4-hy­droxy-3-meth­oxy­phenyl­methyl)-5,5-di­methyl­cyclo­hex-2-enone
title_full Crystal structure of 3-hy­droxy-2-(4-hy­droxy-3-meth­oxy­phenyl­methyl)-5,5-di­methyl­cyclo­hex-2-enone
title_fullStr Crystal structure of 3-hy­droxy-2-(4-hy­droxy-3-meth­oxy­phenyl­methyl)-5,5-di­methyl­cyclo­hex-2-enone
title_full_unstemmed Crystal structure of 3-hy­droxy-2-(4-hy­droxy-3-meth­oxy­phenyl­methyl)-5,5-di­methyl­cyclo­hex-2-enone
title_short Crystal structure of 3-hy­droxy-2-(4-hy­droxy-3-meth­oxy­phenyl­methyl)-5,5-di­methyl­cyclo­hex-2-enone
title_sort crystal structure of 3-hy­droxy-2-(4-hy­droxy-3-meth­oxy­phenyl­methyl)-5,5-di­methyl­cyclo­hex-2-enone
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6002819/
https://www.ncbi.nlm.nih.gov/pubmed/29951232
http://dx.doi.org/10.1107/S2056989018006941
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