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Crystal structure of a 1:1 salt of 4-amino­benzoic acid (vitamin B(10)) with pyrazinoic acid

The title 1:1 salt, C(7)H(8)NO(2) (+)·C(5)H(3)N(2)O(2) (−) (systematic name: 4-carb­oxy­anilinium pyrazine-2-carboxyl­ate), was synthesized successfully by slow evaporation of a saturated solution from water–ethanol (1:1 v/v) mixture and characterized by X-ray diffraction (SCXRD, PXRD) and calorimet...

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Detalles Bibliográficos
Autores principales: Drozd, K. V., Arkhipov, S. G., Boldyreva, E. V., Perlovich, G. L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281118/
https://www.ncbi.nlm.nih.gov/pubmed/30574402
http://dx.doi.org/10.1107/S2056989018016663
Descripción
Sumario:The title 1:1 salt, C(7)H(8)NO(2) (+)·C(5)H(3)N(2)O(2) (−) (systematic name: 4-carb­oxy­anilinium pyrazine-2-carboxyl­ate), was synthesized successfully by slow evaporation of a saturated solution from water–ethanol (1:1 v/v) mixture and characterized by X-ray diffraction (SCXRD, PXRD) and calorimetry (DSC). The crystal structure of the salt was solved and refined at 150 and 293 K. The salt crystallizes with one mol­ecule of 4-amino­benzoic acid (PABA) and one mol­ecule of pyrazinoic acid (POA) in the asymmetric unit. In the crystal, the PABA and POA mol­ecules are associated via COOH⋯N(arom) heterosynthons, which are connected by N—H⋯O hydrogen bonds, creating zigzag chains. The chains are further linked by N—H⋯O hydrogen bonds and π–π stacking inter­actions along the b axis [centroid-to-centroid distances = 3.7377 (13) and 3.8034 (13) Å at 150 and 293 K, respectively] to form a layered three-dimensional structure.