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2,3-Diamino-pyridinium 2-hy-droxy-benzoate.

ABSTRACT: In the title mol-ecular salt, C(5)H(8)N(3) (+)·C(7)H(5)O(3) (-), the 2,3-diamino-pyridinium cation is essentially planar, with a maximum deviation of 0.006?(2)?Å. In the crystal, adjacent cations and anions are linked by pairs of N-H?O hydrogen bonds, generating R(2) (2)(8) loops. These dimers are linked by further N-H?O hydrogen bonds and C-H?O inter-actions to form sheets lying parallel to (001). A typical intra-molecular O-H?O hydrogen bond is also observed in the salicylate (2-hy-droxy-benzoate) anion, which generates an S(6) ring. The crystal structure also features ?-? stacking inter-actions between the pyridinium rings of the cations, with a centroid-centroid distance of 3.5896?(15)?Å.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC3247505 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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2,3-Diamino-pyridinium 2-hy-droxy-benzoate.

Hemamalini Madhukar M Goh Jia Hao JH Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

In the title mol-ecular salt, C(5)H(8)N(3) (+)·C(7)H(5)O(3) (-), the 2,3-diamino-pyridinium cation is essentially planar, with a maximum deviation of 0.006 (2) Å. In the crystal, adjacent cations and anions are linked by pairs of N-H⋯O hydrogen bonds, generating R(2) (2)(8) loops. These dimers are linked by further N-H⋯O hydrogen bonds and C-H⋯O inter-actions to form sheets lying parallel to (001). A typical intra-molecular O-H⋯O hydrogen bond is also observed in the salicylate (2-hy-droxy-benzo ...[more]

PMID: 22220123

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2,3-Diamino-pyridinium benzoate.

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