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Gallic acid

Anhydrous 3,4,5-trihy­droxy­benzoic acid, C(7)H(6)O(5), is essentially planar, with its non-H atoms exhibiting mean and maximum deviations from coplanarity of 0.014 and 0.0377 (5) Å, respectively. The C—C—C—OH torsion angle about the bond linking the carboxyl group to the benzene ring is −0.33 (10)°...

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Detalles Bibliográficos
Autores principales: Zhao, Jianping, Khan, Ikhlas A., Fronczek, Frank R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051435/
https://www.ncbi.nlm.nih.gov/pubmed/21523003
http://dx.doi.org/10.1107/S1600536811000262
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author Zhao, Jianping
Khan, Ikhlas A.
Fronczek, Frank R.
author_facet Zhao, Jianping
Khan, Ikhlas A.
Fronczek, Frank R.
author_sort Zhao, Jianping
collection PubMed
description Anhydrous 3,4,5-trihy­droxy­benzoic acid, C(7)H(6)O(5), is essentially planar, with its non-H atoms exhibiting mean and maximum deviations from coplanarity of 0.014 and 0.0377 (5) Å, respectively. The C—C—C—OH torsion angle about the bond linking the carboxyl group to the benzene ring is −0.33 (10)°. In the crystal, the –COOH groups form centrosymmetric hydrogen-bonded cyclic dimers [graph set R (2) (2)(8)] and the phenolic –OH groups participate in both intra- and inter­molecular hydrogen bonds, forming a three-dimensional network structure.
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spelling pubmed-30514352011-04-26 Gallic acid Zhao, Jianping Khan, Ikhlas A. Fronczek, Frank R. Acta Crystallogr Sect E Struct Rep Online Organic Papers Anhydrous 3,4,5-trihy­droxy­benzoic acid, C(7)H(6)O(5), is essentially planar, with its non-H atoms exhibiting mean and maximum deviations from coplanarity of 0.014 and 0.0377 (5) Å, respectively. The C—C—C—OH torsion angle about the bond linking the carboxyl group to the benzene ring is −0.33 (10)°. In the crystal, the –COOH groups form centrosymmetric hydrogen-bonded cyclic dimers [graph set R (2) (2)(8)] and the phenolic –OH groups participate in both intra- and inter­molecular hydrogen bonds, forming a three-dimensional network structure. International Union of Crystallography 2011-01-12 /pmc/articles/PMC3051435/ /pubmed/21523003 http://dx.doi.org/10.1107/S1600536811000262 Text en © Zhao 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
Zhao, Jianping
Khan, Ikhlas A.
Fronczek, Frank R.
Gallic acid
title Gallic acid
title_full Gallic acid
title_fullStr Gallic acid
title_full_unstemmed Gallic acid
title_short Gallic acid
title_sort gallic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051435/
https://www.ncbi.nlm.nih.gov/pubmed/21523003
http://dx.doi.org/10.1107/S1600536811000262
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