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2-Amino-5-bromo-pyridinium 5-chloro-2-hy-droxy-benzoate.

ABSTRACT: In the 5-chloro-salicylate anion of the title salt, C5H6BrN2 (+)·C7H4ClO3 (-), an intra-molecular O-H?O hydrogen bond with an S(6) graph-set motif is formed, so that the anion is essentially planar with a dihedral angle of 1.3?(5)° between the benzene ring and the carboxyl-ate group. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms via a pair of N-H?O hydrogen bonds, forming an R 2 (2)(8) ring motif. The crystal structure also features N-H?O and weak C-H?O inter-actions, resulting in a layer parallel to the (10-1) plane.

SUBMITTER: Thanigaimani K

PROVIDER: S-EPMC3629591 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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2-Amino-5-bromo-pyridinium 5-chloro-2-hy-droxy-benzoate.

Thanigaimani Kaliyaperumal K Khalib Nuridayanti Che NC Arshad Suhana S Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20130316 Pt 4

In the 5-chloro-salicylate anion of the title salt, C5H6BrN2 (+)·C7H4ClO3 (-), an intra-molecular O-H⋯O hydrogen bond with an S(6) graph-set motif is formed, so that the anion is essentially planar with a dihedral angle of 1.3 (5)° between the benzene ring and the carboxyl-ate group. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms via a pair of N-H⋯O hydrogen bonds, forming an R 2 (2)(8) ring motif. The crystal structure a ...[more]

PMID: 23634078

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