4-氟-2-(苯基氨基)苯甲酸

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

摘要

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。

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4-Fluoro-2-(phenylamino)benzoic acid

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 A–B acid–acid dimers and weak C—H⋯F interactions further connect the dimers.

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