C. Quah, M. Hemamalini, H. Fun
Aug 11, 2010
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Journal
Acta Crystallographica Section E: Structure Reports Online
Abstract
The asymmetric unit of the title compound, C5H6BrN2 +·C8H5O4 −, consists of two crystallographically independent 2-amino-5-bromopyridinium cations (A and B) and two 2-carboxybenzoate anions (A and B). Each 2-amino-5-bromopyridinium cation is approximately planar, with a maximum deviation of 0.047 (1) Å in cation A and 0.027 (1) Å in cation B. The 2-amino-5-bromopyridinium unit in cation A is inclined at dihedral angles of 4.9 (3) and 2.2 (3)° with the phenyl rings of the A and B 2-carboxybenzoate anions, respectively. The corresponding angles for cation B are 3.0 (3) and 5.6 (3)°. The molecular structure is stabilized by an intramolecular O—H⋯O hydrogen bond,which generates an S(7) ring motif. The cations and anions are linked via intermolecular N—H⋯O and C—H⋯O hydrogen bonds, generating R 2 2(8) ring motifs. In the crystal packing, molecules are linked into wave-like chains along [001] via adjacent ring motifs. Short intermolecular distances between the phenyl and pyridine rings [3.613 (4) and 3.641 (4) Å] indicate the existence of π–π interactions. The crystal structure is a non-merohedral twin with a contribution of 0.271 (3) of the minor component.