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Crystal structure of 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium 2-(4-iso­butyl­phen­yl)propano­ate: a simple organic salt of racemic ibuprofen

In the title organic salt of ibuprofen with trometamol, C(4)H(12)NO(3) (+)·C(13)H(17)O(2) (−), the carb­oxy­lic acid group of ibuprofen has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked via N—H⋯O hydrogen bonds, forming chains along [001]...

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Detalles Bibliográficos
Autor principal: Lou, Benyong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571357/
https://www.ncbi.nlm.nih.gov/pubmed/26396756
http://dx.doi.org/10.1107/S2056989015012979
Descripción
Sumario:In the title organic salt of ibuprofen with trometamol, C(4)H(12)NO(3) (+)·C(13)H(17)O(2) (−), the carb­oxy­lic acid group of ibuprofen has transferred its proton to the amino N atom of trometamol. In the crystal, the trometamol cations are linked via N—H⋯O hydrogen bonds, forming chains along [001]. To these chains are attached the ibuprofen anions via O—H⋯O and N—H⋯O hydrogen bonds. The chains are linked via further N—H⋯O and O—H⋯O hydrogen bonds, forming sheets parallel to (100). Two C atoms of the propano­ate substituent in the ibuprofen anion are disordered over two sets of sites and were refined with a fixed occupancy ratio of 0.7:0.3.