Febuxostat ethanol monosolvate

Acta Crystallogr E Crystallogr Commun. 2020 May 12;76(Pt 6):816-819. doi: 10.1107/S2056989020006076. eCollection 2020 Jun 1.

Abstract

The title compound, 2-(3-cyano-4-iso-but-oxyphen-yl)-4-methyl-1,3-thia-zole-5-car-b-oxy-lic acid ethanol monosolvate, C16H16N2O3S·C2H6O, (I), displays inter-molecular O-H⋯O and O-H⋯N bonds in which the carboxyl group of the febuxostat mol-ecule and the hydroxyl group of the ethanol mol-ecule serve as hydrogen-bond donor sites. These inter-actions result in a helical hydrogen-bonded chain structure. The title structure is isostructural with a previously reported methanol analogue.

Keywords: crystal structure; hydrogen bonding; isostructural; pharmaceuticals; solvate.