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2,3-Diamino-pyridinium benzoate benzoic acid solvate.


ABSTRACT: In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(2) (-)·C(7)H(6)O(2), the carboxyl and carboxyl-ate groups are twisted away from their attached benzene rings by 10.75?(7) and 20.33?(6)°, respectively. In the crystal structure, the 2,3-diamino-pyridinium cations, benzoate anions and benzoic acid mol-ecules are linked into a two-dimensional network parallel to (001) by O-H?O, N-H?O and C-H?O hydrogen bonds and ?-? inter-actions between the pyridinium rings [centroid-centroid distance = 3.4981?(7)?Å].

SUBMITTER: Hemamalini M 

PROVIDER: S-EPMC2979855 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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2,3-Diamino-pyridinium benzoate benzoic acid solvate.

Hemamalini Madhukar M   Fun Hoong-Kun HK  

Acta crystallographica. Section E, Structure reports online 20100130 Pt 2


In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(2) (-)·C(7)H(6)O(2), the carboxyl and carboxyl-ate groups are twisted away from their attached benzene rings by 10.75 (7) and 20.33 (6)°, respectively. In the crystal structure, the 2,3-diamino-pyridinium cations, benzoate anions and benzoic acid mol-ecules are linked into a two-dimensional network parallel to (001) by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds and π-π inter-actions between the pyridinium rings [centroid-centroid distance = 3.4981 (7)  ...[more]

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