Crystal structure of rac-4-[2-(tert-butyl­aza­nium­yl)-1-hy­droxy­eth­yl]-2-(hy­droxy­meth­yl)phenol benzoate

The title salt, C(13)H(22)NO(3) (+)·C(7)H(5)O(2) (−), comprises one salbutamol cation {sys­tematic name: 4-[2-(tert-butyl­aza­nium­yl)-1-hy­droxy­eth­yl]-2-(hy­droxy­meth­yl)phenol} and a benzoate anion. The cation shows disorder of the hy­droxy group [occupancy ratio 0.738 (3):0.262 (3)] at the ste...

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Detalles Bibliográficos
Autores principales: Liu, Wenju, Chen, Qiliang, Yu, Linda
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/PMC5588574/
https://www.ncbi.nlm.nih.gov/pubmed/28932468
http://dx.doi.org/10.1107/S2056989017011513
Descripción
Sumario:The title salt, C(13)H(22)NO(3) (+)·C(7)H(5)O(2) (−), comprises one salbutamol cation {sys­tematic name: 4-[2-(tert-butyl­aza­nium­yl)-1-hy­droxy­eth­yl]-2-(hy­droxy­meth­yl)phenol} and a benzoate anion. The cation shows disorder of the hy­droxy group [occupancy ratio 0.738 (3):0.262 (3)] at the stereogenic C atom. The non-planar benzoate anion [the dihedral angle between the benzene ring and the carboxyl group is 11.30 (8)°] is linked to the salbutamol cation by a medium-strength O—H⋯O hydrogen bond. Other inter­molecular O—H⋯O and N—H⋯O hydrogen bonds of weaker nature give rise to [001] chains.

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