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2-Amino-5-bromo-pyridinium 3-amino-benzoate.

ABSTRACT: In the title salt, C(5)H(6)BrN(2) (+)·C(7)H(6)NO(2) (-), the pyridine N atom of the 2-amino-5-bromo-pyridine mol-ecule is protonated. In the crystal, the protonated N atom and the 2-amino group are hydrogen-bonded to the carboxyl-ate O atoms via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. Two inversion-related 3-amino-benzoate anions are linked through N-H?O hydrogen-bonds, forming an R(2) (2)(14) ring motif. The crystal structure is further stabilized by ??? inter-actions involving the benzene and pyridinium rings with a centroid-centroid distance of 3.7743?(15)?Å.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC2983620 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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2-Amino-5-bromo-pyridinium 3-amino-benzoate.

Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100220 Pt 3

In the title salt, C(5)H(6)BrN(2) (+)·C(7)H(6)NO(2) (-), the pyridine N atom of the 2-amino-5-bromo-pyridine mol-ecule is protonated. In the crystal, the protonated N atom and the 2-amino group are hydrogen-bonded to the carboxyl-ate O atoms via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. Two inversion-related 3-amino-benzoate anions are linked through N-H⋯O hydrogen-bonds, forming an R(2) (2)(14) ring motif. The crystal structure is further stabilized by π⋯π inter-actions ...[more]

PMID: 21580412

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