4-Fluoro-2-(phenyl­amino)­benzoic acid

IUCrData Pub Date : 2024-03-01 DOI:10.1107/S2414314624001974
Jingxi Li , Sihui Long , W. T. A. Harrison (Editor)
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引用次数: 0

Abstract

There are two crystallographically independent mol­ecules in the asymmetric unit of the title compound, which are linked by pairwise O—H⋯O hydrogen bonds.

The title compound, C13H10FNO2, was obtained by the reaction of 2-bromo-4-fluoro­benzoic acid with aniline. There are two independent mol­ecules, A and B, in the asymmetric unit, with slight conformational differences: the dihedral angles between the aromatic rings are 55.63 (5) and 52.65 (5)°. Both mol­ecules feature an intra­molecular N—H⋯O hydrogen bond. In the crystal, the mol­ecules are linked by pairwise O—H⋯O hydrogen bonds to form AB acid–acid dimers and weak C—H⋯F inter­actions further connect the dimers.

  1. Download : Download high-res image (278KB)
  2. Download : Download full-size image

4-氟-2-(苯基氨基)苯甲酸
标题化合物 C13H10FNO2 是由 2-溴-4-氟苯甲酸与苯胺反应得到的。不对称单元中有两个独立的分子 A 和 B,它们在构象上略有不同:芳香环之间的二面角分别为 55.63 (5) ° 和 52.65 (5)°。两个分子都具有分子内 N-H...O 氢键。在晶体中,分子通过成对的 O-H...O 氢键连接,形成 A-B 酸-酸二聚体,弱的 C-H...F 相互作用进一步连接了二聚体。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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CiteScore
0.30
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