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3-Amino-pyridin-1-ium 3-carb-oxy-benzo-ate.

ABSTRACT: In the title organic salt, C(5)H(7)N(2) (+)·C(8)H(5)O(4) (-), the carb-oxy-lic group is nearly coplanar with the benzene ring [dihedral angle 1.9?(4)°] whereas the carboxyl-ate group is twisted relative to the benzene ring by 13.6?(4)°. In the crystal, N-H?O and O-H?O hydrogen bonds connect the components into a three-dimensional framework consisting of stacks of alternating pairs of anions and cations exhibiting ?-? stacking inter-actions with centroid-centroid distances in the range 3.676?(2)-3.711?(1)?Å. The ?-? stacks extend along [110] and [-110].

SUBMITTER: Campos-Gaxiola JJ

PROVIDER: S-EPMC3344561 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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3-Amino-pyridin-1-ium 3-carb-oxy-benzo-ate.

Campos-Gaxiola Jose J JJ Hernández-Ortega Simón S Morales-Morales David D Cruz Enríquez Adriana A

Acta crystallographica. Section E, Structure reports online 20120421 Pt 5

In the title organic salt, C(5)H(7)N(2) (+)·C(8)H(5)O(4) (-), the carb-oxy-lic group is nearly coplanar with the benzene ring [dihedral angle 1.9 (4)°] whereas the carboxyl-ate group is twisted relative to the benzene ring by 13.6 (4)°. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds connect the components into a three-dimensional framework consisting of stacks of alternating pairs of anions and cations exhibiting π-π stacking inter-actions with centroid-centroid distances in the range 3.676 (2)- ...[more]

PMID: 22590323

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