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2-Amino-5-bromo­pyridinium 2-carb­oxy­benzoate

The asymmetric unit of the title compound, C(5)H(6)BrN(2) (+)·C(8)H(5)O(4) (−), 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 d...

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Detalles Bibliográficos
Autores principales: Quah, Ching Kheng, Hemamalini, Madhukar, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3008123/
https://www.ncbi.nlm.nih.gov/pubmed/21588627
http://dx.doi.org/10.1107/S1600536810030977
Descripción
Sumario:The asymmetric unit of the title compound, C(5)H(6)BrN(2) (+)·C(8)H(5)O(4) (−), 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.