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Crystal structure of 4-(di-methyl-amino)-pyridinium 4-amino-benzoate dihydrate.

ABSTRACT: In the title hydrated mol-ecular salt, C7H11N2 (+)·C7H6NO2 (-)·2H2O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO2 (-) group in the anion is 8.5 (2)°. In the crystal, the cation forms an N-H⋯O hydrogen bond to the anion and the anion forms two N-H⋯O hydrogen bonds to adjacent water mol-ecules. Both water mol-ecules form two O-H⋯O hydrogen bonds to carboxyl-ate O atoms. In combination, these hydrogen bonds generate a three-dimensional network and two weak C-H⋯π inter-actions are also observed.

SUBMITTER: Thirunavukkarasu A

PROVIDER: S-EPMC4331910 | biostudies-literature | 2015 Jan

REPOSITORIES: biostudies-literature

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Crystal structure of 4-(di-methyl-amino)-pyridinium 4-amino-benzoate dihydrate.

Thirunavukkarasu A A Silambarasan A A Kumar R Mohan RM Umarani P R PR Chakkaravarthi G G

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

In the title hydrated mol-ecular salt, C7H11N2 (+)·C7H6NO2 (-)·2H2O, the cation is protonated at the pyridine N atom and the dihedral angle between the benzene ring and the CO2 (-) group in the anion is 8.5 (2)°. In the crystal, the cation forms an N-H⋯O hydrogen bond to the anion and the anion forms two N-H⋯O hydrogen bonds to adjacent water mol-ecules. Both water mol-ecules form two O-H⋯O hydrogen bonds to carboxyl-ate O atoms. In combination, these hydrogen bonds generate a three-dimensional ...[more]

PMID: 25705488

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