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


ABSTRACT: The 4-methyl-benzoate anion of the title salt, C6H9N2(+)·C8H7O2(-), is nearly planar, with a dihedral angle of 6.26?(10)° 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, forming an approximately planar ion pair with a dihedral angle of 9.63?(4)° between the pyridinium and benzene rings. 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.

SUBMITTER: Thanigaimani K 

PROVIDER: S-EPMC3588314 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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

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

Acta crystallographica. Section E, Structure reports online 20121215 Pt 1


The 4-methyl-benzoate anion of the title salt, C6H9N2(+)·C8H7O2(-), is nearly planar, with a dihedral angle of 6.26 (10)° 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, forming an approximately planar ion pair with a dihedral angle of 9.63 (4)° between the pyridinium and benzene rings. The ion  ...[more]

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