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Redetermination of 2,6-dimethoxy­benzoic acid

The crystal structure of the title compound, C(9)H(10)O(4), was first reported by Swaminathan, Vimala & Lotter [Acta Cryst. (1976), B32, 1897–1900]. It has been re-examined, improving the precision of the derived geometric parameters. The asymmetric unit comprises a non-planar independent mol­ec...

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Autor principal: Portalone, Gustavo
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968263/
https://www.ncbi.nlm.nih.gov/pubmed/21581932
http://dx.doi.org/10.1107/S1600536809001408
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author Portalone, Gustavo
author_facet Portalone, Gustavo
author_sort Portalone, Gustavo
collection PubMed
description The crystal structure of the title compound, C(9)H(10)O(4), was first reported by Swaminathan, Vimala & Lotter [Acta Cryst. (1976), B32, 1897–1900]. It has been re-examined, improving the precision of the derived geometric parameters. The asymmetric unit comprises a non-planar independent mol­ecule, as the meth­oxy substituents force the carb­oxy group to be twisted away from the plane of the aromatic ring by 56.12 (9)°. Due to the anti­planar conformation adopted by the OH group, the mol­ecular components do not form the conventional dimeric units, but are associated in the crystal in chains stabilized by linear O—H⋯O hydrogen bonds, involving the OH groups and the carbonyl O atoms, which form C(3) motifs.
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spelling pubmed-29682632010-12-30 Redetermination of 2,6-dimethoxy­benzoic acid Portalone, Gustavo Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, C(9)H(10)O(4), was first reported by Swaminathan, Vimala & Lotter [Acta Cryst. (1976), B32, 1897–1900]. It has been re-examined, improving the precision of the derived geometric parameters. The asymmetric unit comprises a non-planar independent mol­ecule, as the meth­oxy substituents force the carb­oxy group to be twisted away from the plane of the aromatic ring by 56.12 (9)°. Due to the anti­planar conformation adopted by the OH group, the mol­ecular components do not form the conventional dimeric units, but are associated in the crystal in chains stabilized by linear O—H⋯O hydrogen bonds, involving the OH groups and the carbonyl O atoms, which form C(3) motifs. International Union of Crystallography 2009-01-17 /pmc/articles/PMC2968263/ /pubmed/21581932 http://dx.doi.org/10.1107/S1600536809001408 Text en © Gustavo Portalone* 2009 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
Portalone, Gustavo
Redetermination of 2,6-dimethoxy­benzoic acid
title Redetermination of 2,6-dimethoxy­benzoic acid
title_full Redetermination of 2,6-dimethoxy­benzoic acid
title_fullStr Redetermination of 2,6-dimethoxy­benzoic acid
title_full_unstemmed Redetermination of 2,6-dimethoxy­benzoic acid
title_short Redetermination of 2,6-dimethoxy­benzoic acid
title_sort redetermination of 2,6-dimethoxy­benzoic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968263/
https://www.ncbi.nlm.nih.gov/pubmed/21581932
http://dx.doi.org/10.1107/S1600536809001408
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