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

Acta Crystallographica Section E: Crystallographic Communications

Lou, B.¹ 

[1]Department of Chemistry and Chemical Engineering, Minjiang University, Fuzhou 350108, People's Republic of China

关键词: CRYSTAL STRUCTURE;    IBUPROFEN;    TROMETAMOL;    MOLECULAR SALT;    HYDROGEN BONDING;    CHAINS;    SHEETS;   

DOI  :  10.1107/S2056989015012979

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

In the title organic salt of ibuprofen with trometamol, C4H12NO3+·C13H17O2−, 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.

【 授权许可】

CC BY