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Febuxostat ethanol monosolvate.

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.

SUBMITTER: Gelbrich T

PROVIDER: S-EPMC7273979 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature

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Febuxostat ethanol monosolvate.

Gelbrich Thomas T Kahlenberg Volker V Adamer Verena V Nerdinger Sven S Griesser Ulrich J UJ

Acta crystallographica. Section E, Crystallographic communications 20200512 Pt 6

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 isostruct ...[more]

PMID: 32523746

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