Crystal structure of 3-acet­oxy-2-methyl­benzoic acid

In the title mol­ecule, C(10)H(10)O(4), the carb­oxy­lic acid group is twisted by 11.37 (15)° from the plane of the benzene ring and the acet­oxy group is twisted from this plane by 86.60 (17)°. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming inversion dimers with the...

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Autores principales: Saranya, Matheswaran, Subashini, Annamalai, Arunagiri, Chidambaram, Muthiah, Packianathan Thomas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518910/
https://www.ncbi.nlm.nih.gov/pubmed/26279915
http://dx.doi.org/10.1107/S2056989015010865
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author Saranya, Matheswaran
Subashini, Annamalai
Arunagiri, Chidambaram
Muthiah, Packianathan Thomas
author_facet Saranya, Matheswaran
Subashini, Annamalai
Arunagiri, Chidambaram
Muthiah, Packianathan Thomas
author_sort Saranya, Matheswaran
collection PubMed
description In the title mol­ecule, C(10)H(10)O(4), the carb­oxy­lic acid group is twisted by 11.37 (15)° from the plane of the benzene ring and the acet­oxy group is twisted from this plane by 86.60 (17)°. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming inversion dimers with the expected R (2) (2)(8) graph-set motif.
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spelling pubmed-45189102015-08-14 Crystal structure of 3-acet­oxy-2-methyl­benzoic acid Saranya, Matheswaran Subashini, Annamalai Arunagiri, Chidambaram Muthiah, Packianathan Thomas Acta Crystallogr E Crystallogr Commun Data Reports In the title mol­ecule, C(10)H(10)O(4), the carb­oxy­lic acid group is twisted by 11.37 (15)° from the plane of the benzene ring and the acet­oxy group is twisted from this plane by 86.60 (17)°. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming inversion dimers with the expected R (2) (2)(8) graph-set motif. International Union of Crystallography 2015-06-13 /pmc/articles/PMC4518910/ /pubmed/26279915 http://dx.doi.org/10.1107/S2056989015010865 Text en © Saranya et al. 2015 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 Data Reports
Saranya, Matheswaran
Subashini, Annamalai
Arunagiri, Chidambaram
Muthiah, Packianathan Thomas
Crystal structure of 3-acet­oxy-2-methyl­benzoic acid
title Crystal structure of 3-acet­oxy-2-methyl­benzoic acid
title_full Crystal structure of 3-acet­oxy-2-methyl­benzoic acid
title_fullStr Crystal structure of 3-acet­oxy-2-methyl­benzoic acid
title_full_unstemmed Crystal structure of 3-acet­oxy-2-methyl­benzoic acid
title_short Crystal structure of 3-acet­oxy-2-methyl­benzoic acid
title_sort crystal structure of 3-acet­oxy-2-methyl­benzoic acid
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518910/
https://www.ncbi.nlm.nih.gov/pubmed/26279915
http://dx.doi.org/10.1107/S2056989015010865
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