Gallic acid
Anhydrous 3,4,5-trihydroxybenzoic acid, C7H6O5, 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 a...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-02-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811000262 |
| _version_ | 1818999128817926144 |
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| author | Jianping Zhao Ikhlas A. Khan Frank R. Fronczek |
| author_facet | Jianping Zhao Ikhlas A. Khan Frank R. Fronczek |
| author_sort | Jianping Zhao |
| collection | DOAJ |
| description | Anhydrous 3,4,5-trihydroxybenzoic acid, C7H6O5, 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 R22(8)] and the phenolic –OH groups participate in both intra- and intermolecular hydrogen bonds, forming a three-dimensional network structure. |
| first_indexed | 2024-12-20T22:12:30Z |
| format | Article |
| id | doaj.art-a0730e41878a496c91a8b4e617eced5c |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T22:12:30Z |
| publishDate | 2011-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-a0730e41878a496c91a8b4e617eced5c2022-12-21T19:25:08ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-02-01672o316o31710.1107/S1600536811000262Gallic acidJianping ZhaoIkhlas A. KhanFrank R. FronczekAnhydrous 3,4,5-trihydroxybenzoic acid, C7H6O5, 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 R22(8)] and the phenolic –OH groups participate in both intra- and intermolecular hydrogen bonds, forming a three-dimensional network structure.http://scripts.iucr.org/cgi-bin/paper?S1600536811000262 |
| spellingShingle | Jianping Zhao Ikhlas A. Khan Frank R. Fronczek Gallic acid Acta Crystallographica Section E |
| title | Gallic acid |
| title_full | Gallic acid |
| title_fullStr | Gallic acid |
| title_full_unstemmed | Gallic acid |
| title_short | Gallic acid |
| title_sort | gallic acid |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811000262 |
| work_keys_str_mv | AT jianpingzhao gallicacid AT ikhlasakhan gallicacid AT frankrfronczek gallicacid |