Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium

Abstract

The asymmetric unit of the title compound, sodium 2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate dihydrate, Na+·C15H14NO3 -·2H2O, contains two sodium cations, two organic anions (A and B) and two water molecules. The coordination geometry around the sodium cations corresponds to a distorted octahedron. Each pair of sodium cations (A-A or B-B) is chelated by two bridging anions coordinated by the O atoms of the deprotonated carboxylic groups, and each sodium atom is coordinated by an O atom of a third anion, which connects pairs of sodium atoms, and a water molecule. As a result, a two-dimensional polymer is formed in the crystal. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyze the intermolecular contacts present in the crystal.