Crystal structure of the tetraethylammonium salt of the non-steroidal anti-inflammatory drug nimesulide (polymorph II)

Abstract

The crystal structure of the tetraethylammonium salt of the non-steroidal anti-inflammatory drug nimesulide (polymorph II) (systematic name: tetraethylammonium N-methanesulfonyl-4-nitro-2-phenoxyanilinide), C8H20N+·C13H11N2O5S−, was determined using single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic space group P21/c with one tetraethylammonium cation and one nimesulide anion in the asymmetric unit. In the crystal, the ions are linked by C—H...N and C—H...O hydrogen bonds and C—H...π interactions. There are differences in the geometry of both the nimesulide anion and the tetraethylammonium cation in polymorphs I [Rybczyńska & Sikorski (2023). Sci. Rep. 13, 17268] and II of the title compound.

Keywords

• nimesulide
• n-(4-nitro-2-phenoxyphenyl)methanesulfonamide
• tetraethylammonium salt
• api
• crystal structure
• polymorphism