2-氨基-5-氟苯甲酸。
2-Amino-5-fluoro-benzoic acid.
作者信息
Sreenivasa S, Manojkumar K E, Suchetan P A, Palakshamurthy B S, Gunasekaran K
机构信息
Department of Studies and Research in Chemistry, Tumkur University, Tumkur, Karnataka 572 103, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o387. doi: 10.1107/S160053681300408X. Epub 2013 Feb 16.
In the title compound, C7H6FNO2, the mol-ecule is almost planar (r.m.s. deviation for the non-H atoms = 0.015 Å) and an intra-molecular N-H⋯O hydrogen bond closes an S(6) ring. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R2(2)(8) loops. Weak N-H⋯F hydrogen bonds, short F⋯F contacts [2.763 (2) Å] and aromatic π-π stacking inter-actions [centroid-centroid separation = 3.5570 (11) Å] are also observed in the crystal structure.
在标题化合物C₇H₆FNO₂中，分子几乎呈平面状（非H原子的均方根偏差 = 0.015 Å），分子内的N-H⋯O氢键形成一个S(6)环。在晶体中，由O-H⋯O氢键对连接的反演二聚体形成R₂²(8)环。晶体结构中还观察到弱的N-H⋯F氢键、短的F⋯F接触[2.763(2) Å]和芳香π-π堆积相互作用[质心-质心间距 = 3.5570(11) Å]。
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