2-Fluoro-4-(methoxycarbonyl)benzoic acid

Carl Wagner; Thomas L. Groy

doi:10.1107/S1600536810032253

2-Fluoro-4-(methoxycarbonyl)benzoic acid

Carl Wagner, Thomas L. Groy

Mathematical and Natural Sciences, School of (SMNS)

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

In the crystal of the title compound, C₉H₇FO 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.

Original language	English (US)
Pages (from-to)	o2340
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	66
Issue number	9
DOIs	https://doi.org/10.1107/S1600536810032253
State	Published - Sep 2010

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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10.1107/S1600536810032253

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title = "2-Fluoro-4-(methoxycarbonyl)benzoic acid",

abstract = "In the crystal of the title compound, C9H7FO 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.",

author = "Carl Wagner and Groy, {Thomas L.}",

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T1 - 2-Fluoro-4-(methoxycarbonyl)benzoic acid

AU - Wagner, Carl

AU - Groy, Thomas L.

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N2 - In the crystal of the title compound, C9H7FO 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.

AB - In the crystal of the title compound, C9H7FO 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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ER -

2-Fluoro-4-(methoxycarbonyl)benzoic acid

Abstract

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CCDC 792430: Experimental Crystal Structure Determination

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2-Fluoro-4-(methoxycarbonyl)benzoic acid

Abstract

ASJC Scopus subject areas

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Datasets

CCDC 792430: Experimental Crystal Structure Determination

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