4-(4-Meth­oxy­phen­yl)-2-methyl­but-3-yn-2-ol

The mol­ecular structure of the title compound, C(12)H(14)O(2), features a nearly coplanar arrangement including the aromatic ring, the C C—C group and the ether O atom. The maximum deviation from the least-squares plane of these ten atoms is 0.0787 (8) Å for the ether O atom. In the crystal, mol­ec...

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Detalles Bibliográficos
Autores principales: Eissmann, Frank, Kafurke, Uwe, Weber, Edwin
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006825/
https://www.ncbi.nlm.nih.gov/pubmed/21588063
http://dx.doi.org/10.1107/S1600536810024529
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author Eissmann, Frank
Kafurke, Uwe
Weber, Edwin
author_facet Eissmann, Frank
Kafurke, Uwe
Weber, Edwin
author_sort Eissmann, Frank
collection PubMed
description The mol­ecular structure of the title compound, C(12)H(14)O(2), features a nearly coplanar arrangement including the aromatic ring, the C C—C group and the ether O atom. The maximum deviation from the least-squares plane of these ten atoms is 0.0787 (8) Å for the ether O atom. In the crystal, mol­ecules are connected via O—H⋯O hydrogen bonds (involving the hy­droxy O atom both as hydrogen-bond donor and acceptor) and weaker (ar­yl)C—H⋯π(ar­yl) contacts, leading to the formation of strands running parallel to the b axis. Further stabilization results from weaker (meth­yl)C—H⋯π(acetyl­ene) inter­actions between different strands.
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spelling pubmed-30068252010-12-30 4-(4-Meth­oxy­phen­yl)-2-methyl­but-3-yn-2-ol Eissmann, Frank Kafurke, Uwe Weber, Edwin Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecular structure of the title compound, C(12)H(14)O(2), features a nearly coplanar arrangement including the aromatic ring, the C C—C group and the ether O atom. The maximum deviation from the least-squares plane of these ten atoms is 0.0787 (8) Å for the ether O atom. In the crystal, mol­ecules are connected via O—H⋯O hydrogen bonds (involving the hy­droxy O atom both as hydrogen-bond donor and acceptor) and weaker (ar­yl)C—H⋯π(ar­yl) contacts, leading to the formation of strands running parallel to the b axis. Further stabilization results from weaker (meth­yl)C—H⋯π(acetyl­ene) inter­actions between different strands. International Union of Crystallography 2010-06-30 /pmc/articles/PMC3006825/ /pubmed/21588063 http://dx.doi.org/10.1107/S1600536810024529 Text en © Eissmann et al. 2010 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
Eissmann, Frank
Kafurke, Uwe
Weber, Edwin
4-(4-Meth­oxy­phen­yl)-2-methyl­but-3-yn-2-ol
title 4-(4-Meth­oxy­phen­yl)-2-methyl­but-3-yn-2-ol
title_full 4-(4-Meth­oxy­phen­yl)-2-methyl­but-3-yn-2-ol
title_fullStr 4-(4-Meth­oxy­phen­yl)-2-methyl­but-3-yn-2-ol
title_full_unstemmed 4-(4-Meth­oxy­phen­yl)-2-methyl­but-3-yn-2-ol
title_short 4-(4-Meth­oxy­phen­yl)-2-methyl­but-3-yn-2-ol
title_sort 4-(4-meth­oxy­phen­yl)-2-methyl­but-3-yn-2-ol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006825/
https://www.ncbi.nlm.nih.gov/pubmed/21588063
http://dx.doi.org/10.1107/S1600536810024529
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AT kafurkeuwe 44methoxyphenyl2methylbut3yn2ol
AT weberedwin 44methoxyphenyl2methylbut3yn2ol

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