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2-Amino-5-fluoro-benzoic acid.


ABSTRACT: 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 ?-? stacking inter-actions [centroid-centroid separation = 3.5570?(11)?Å] are also observed in the crystal structure.

SUBMITTER: Sreenivasa S 

PROVIDER: S-EPMC3588531 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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2-Amino-5-fluoro-benzoic acid.

Sreenivasa S S   Manojkumar K E KE   Suchetan P A PA   Palakshamurthy B S BS   Gunasekaran K K  

Acta crystallographica. Section E, Structure reports online 20130216 Pt 3


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. ...[more]

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