{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["68(Pt 11)"],"submitter":["Thanigaimani K"],"pubmed_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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o3195"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3515286"],"repository":["biostudies-literature"],"pubmed_title":["2-Amino-5-methyl-pyridinium 3-chloro-benzoate."],"pmcid":["PMC3515286"],"pubmed_authors":["Khalib NC","Razak IA","Thanigaimani K","Farhadikoutenaei A","Arshad S"],"additional_accession":[]},"is_claimable":false,"name":"2-Amino-5-methyl-pyridinium 3-chloro-benzoate.","description":"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.","dates":{"release":"2012-01-01T00:00:00Z","publication":"2012 Nov","modification":"2025-04-04T19:08:54.703Z","creation":"2019-03-27T01:01:30Z"},"accession":"S-EPMC3515286","cross_references":{"pubmed":["23284506"],"doi":["10.1107/S1600536812043231"]}}