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2-Amino-5-methyl-pyridinium 4-chloro-benzoate.

ABSTRACT: The 4-chloro-benzoate anion of the title salt, C6H9N2(+)·C7H4ClO2(-), is nearly planar with a dihedral angle of 5.14?(16)° 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 of the anion via a pair of N-H?O hydrogen bonds with an R2(2)(8) ring motif. The ion pairs are further connected via N-H?O and weak C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. The crystal structure also features a ?-? stacking inter-action between the pyridinium and benzene rings with a centroid-centroid distance of 3.7948?(9)?Å.

SUBMITTER: Thanigaimani K

PROVIDER: S-EPMC3588320 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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2-Amino-5-methyl-pyridinium 4-chloro-benzoate.

Thanigaimani Kaliyaperumal K Farhadikoutenaei Abbas A Arshad Suhana S Razak Ibrahim Abdul IA

Acta crystallographica. Section E, Structure reports online 20121222 Pt 1

The 4-chloro-benzoate anion of the title salt, C6H9N2(+)·C7H4ClO2(-), is nearly planar with a dihedral angle of 5.14 (16)° 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 of the anion via a pair of N-H⋯O hydrogen bonds with an R2(2)(8) ring motif. The ion pairs are further connected via N-H⋯O and weak C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to th ...[more]

PMID: 23476392

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