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2-Amino-5-methyl-pyridinium 3-chloro-benzoate.

ABSTRACT: The 3-chloro-benzoate anion of the title salt, C(6)H(9)N(2) (+)·C(7)H(4)ClO(2) (-), is nearly planar with a dihedral angle of 2.44?(13)° 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 R(2) (2)(8) ring motif, forming an approximately planar ion pair with a dihedral angle of 7.92?(5)° between the pyridinium and benzene rings. The ion pairs are further connected via N-H?O and C-H?O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.

SUBMITTER: Thanigaimani K

PROVIDER: S-EPMC3515286 | biostudies-other | 2012 Nov

REPOSITORIES: biostudies-other

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2-Amino-5-methyl-pyridinium 3-chloro-benzoate.

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

Acta crystallographica. Section E, Structure reports online 20121024 Pt 11

The 3-chloro-benzoate anion of the title salt, C(6)H(9)N(2) (+)·C(7)H(4)ClO(2) (-), is nearly planar with a dihedral angle of 2.44 (13)° 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 R(2) (2)(8) ring motif, forming an approximately planar ion pair with a dihedral angle of 7.92 (5)° between the pyridinium and benze ...[more]

PMID: 23284506

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