Crystal structure of 3-ethynyl­benzoic acid

In the title compound, C(9)H(6)O(2), the carb­oxy­lic acid group is almost in the plane of the benzene ring, making a dihedral angle of 2.49 (18)°. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming classical acid–acid inversion dimers, with an R (2) (2)(8) ring motif. T...

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Detalles Bibliográficos
Autores principales: Venturini, Chiara, Ratel-Ramond, Nicolas, Gourdon, Andre
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/PMC4647427/
https://www.ncbi.nlm.nih.gov/pubmed/26594457
http://dx.doi.org/10.1107/S2056989015016515
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author Venturini, Chiara
Ratel-Ramond, Nicolas
Gourdon, Andre
author_facet Venturini, Chiara
Ratel-Ramond, Nicolas
Gourdon, Andre
author_sort Venturini, Chiara
collection PubMed
description In the title compound, C(9)H(6)O(2), the carb­oxy­lic acid group is almost in the plane of the benzene ring, making a dihedral angle of 2.49 (18)°. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming classical acid–acid inversion dimers, with an R (2) (2)(8) ring motif. The dimers are linked by pairs of C—H⋯O hydrogen bonds forming chains, enclosing R (2) (2)(16) ring motifs, propagating along the c-axis direction.
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spelling pubmed-46474272015-11-20 Crystal structure of 3-ethynyl­benzoic acid Venturini, Chiara Ratel-Ramond, Nicolas Gourdon, Andre Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(9)H(6)O(2), the carb­oxy­lic acid group is almost in the plane of the benzene ring, making a dihedral angle of 2.49 (18)°. In the crystal, mol­ecules are linked by pairs of O—H⋯O hydrogen bonds, forming classical acid–acid inversion dimers, with an R (2) (2)(8) ring motif. The dimers are linked by pairs of C—H⋯O hydrogen bonds forming chains, enclosing R (2) (2)(16) ring motifs, propagating along the c-axis direction. International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647427/ /pubmed/26594457 http://dx.doi.org/10.1107/S2056989015016515 Text en © Venturini 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
Venturini, Chiara
Ratel-Ramond, Nicolas
Gourdon, Andre
Crystal structure of 3-ethynyl­benzoic acid
title Crystal structure of 3-ethynyl­benzoic acid
title_full Crystal structure of 3-ethynyl­benzoic acid
title_fullStr Crystal structure of 3-ethynyl­benzoic acid
title_full_unstemmed Crystal structure of 3-ethynyl­benzoic acid
title_short Crystal structure of 3-ethynyl­benzoic acid
title_sort crystal structure of 3-ethynyl­benzoic acid
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647427/
https://www.ncbi.nlm.nih.gov/pubmed/26594457
http://dx.doi.org/10.1107/S2056989015016515
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