2-Fluoro-4-(meth­oxy­carbon­yl)benzoic acid

In the crystal of the title compound, C(9)H(7)FO(4), classical carboxylate inversion dimers are linked by pairs of O—H⋯O hydrogen bonds. The packing is consolidated by C—H⋯F and C—H⋯O interactions. The benzene ring and the methoxycarbonyl group are nearly coplanar, with a dihedral angle of 1.5 (3)°...

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Detalles Bibliográficos
Autores principales: Wagner, Carl E., Groy, Thomas L.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008027/
https://www.ncbi.nlm.nih.gov/pubmed/21588685
http://dx.doi.org/10.1107/S1600536810032253
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author Wagner, Carl E.
Groy, Thomas L.
author_facet Wagner, Carl E.
Groy, Thomas L.
author_sort Wagner, Carl E.
collection PubMed
description In the crystal of the title compound, C(9)H(7)FO(4), classical carboxylate inversion dimers are linked by pairs of O—H⋯O hydrogen bonds. The packing is consolidated by C—H⋯F and C—H⋯O interactions. The benzene ring and the methoxycarbonyl group are nearly coplanar, with a dihedral angle of 1.5 (3)° between them, whereas the carboxyl group has a dihedral angle of 20.2 (4)° with respect to the benzene ring.
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spelling pubmed-30080272010-12-30 2-Fluoro-4-(meth­oxy­carbon­yl)benzoic acid Wagner, Carl E. Groy, Thomas L. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal of the title compound, C(9)H(7)FO(4), classical carboxylate inversion dimers are linked by pairs of O—H⋯O hydrogen bonds. The packing is consolidated by C—H⋯F and C—H⋯O interactions. The benzene ring and the methoxycarbonyl group are nearly coplanar, with a dihedral angle of 1.5 (3)° between them, whereas the carboxyl group has a dihedral angle of 20.2 (4)° with respect to the benzene ring. International Union of Crystallography 2010-08-18 /pmc/articles/PMC3008027/ /pubmed/21588685 http://dx.doi.org/10.1107/S1600536810032253 Text en © Wagner and Groy 2010 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
Wagner, Carl E.
Groy, Thomas L.
2-Fluoro-4-(meth­oxy­carbon­yl)benzoic acid
title 2-Fluoro-4-(meth­oxy­carbon­yl)benzoic acid
title_full 2-Fluoro-4-(meth­oxy­carbon­yl)benzoic acid
title_fullStr 2-Fluoro-4-(meth­oxy­carbon­yl)benzoic acid
title_full_unstemmed 2-Fluoro-4-(meth­oxy­carbon­yl)benzoic acid
title_short 2-Fluoro-4-(meth­oxy­carbon­yl)benzoic acid
title_sort 2-fluoro-4-(meth­oxy­carbon­yl)benzoic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008027/
https://www.ncbi.nlm.nih.gov/pubmed/21588685
http://dx.doi.org/10.1107/S1600536810032253
work_keys_str_mv AT wagnercarle 2fluoro4methoxycarbonylbenzoicacid
AT groythomasl 2fluoro4methoxycarbonylbenzoicacid

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