Ontology highlight
ABSTRACT:
SUBMITTER: Thanigaimani K
PROVIDER: S-EPMC3588314 | biostudies-literature | 2013 Jan
REPOSITORIES: biostudies-literature
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]