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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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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. |
format | Text |
id | pubmed-3051435 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT zhaojianping gallicacid AT khanikhlasa gallicacid AT fronczekfrankr gallicacid |