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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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 |
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. |
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