Crystal structure of ebastinium 3,5-di­nitro­benzoate

Ebastine, 4-(benzhydr­yloxy)-1-[4-(4-tert-butyl­phen­yl)-4-oxobut­yl]piperidine, reacts with 3,5-di­nitro­benzoic acid in methanol solution to give the title 1:1 salt, ebastinium 3,5-di­nitro­benzoate, C(32)H(40)NO(2) (+)·C(7)H(3)N(2)O(6) (−). In the cation, the disubstituted aryl ring exhibits orie...

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Detalles Bibliográficos
Autores principales: Shaibah, Mohammed A. E., Sagar, Belakavadi K., Yathirajan, Hemmige S., Kumar, S. Madan, Glidewell, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730306/
https://www.ncbi.nlm.nih.gov/pubmed/29250369
http://dx.doi.org/10.1107/S205698901701324X
Descripción
Sumario:Ebastine, 4-(benzhydr­yloxy)-1-[4-(4-tert-butyl­phen­yl)-4-oxobut­yl]piperidine, reacts with 3,5-di­nitro­benzoic acid in methanol solution to give the title 1:1 salt, ebastinium 3,5-di­nitro­benzoate, C(32)H(40)NO(2) (+)·C(7)H(3)N(2)O(6) (−). In the cation, the disubstituted aryl ring exhibits orientational disorder over two sets of atomic sites having occupancies 0.706 (4) and 0.294 (6), with a dihedral angle of 41.2 (5)° between the two orientations: the bulky Ph(2)CH—O– substituent occupies an axial site on the piperidine ring. The two ions in the selected asymmetric unit are linked by a nearly linear N—H⋯O hydrogen bond and this, in combination with two C—H⋯O hydrogen bonds, links the ions into complex sheets.

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