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Crystal structure of 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium 2-(4-iso-butyl-phen-yl)propano-ate: a simple organic salt of racemic ibuprofen.

ABSTRACT: In the title organic salt of ibuprofen with trometamol, C4H12NO3 (+)·C13H17O2 (-), the carb-oxy-lic 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 propano-ate 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.

SUBMITTER: Lou B

PROVIDER: S-EPMC4571357 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-aminium 2-(4-iso-butyl-phen-yl)propano-ate: a simple organic salt of racemic ibuprofen.

Lou Benyong B

Acta crystallographica. Section E, Crystallographic communications 20150711 Pt 8

In the title organic salt of ibuprofen with trometamol, C4H12NO3 (+)·C13H17O2 (-), the carb-oxy-lic 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 propa ...[more]

PMID: 26396756

Similar Datasets

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