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2-[3-Cyano-4-(2-methyl-prop-oxy)phen-yl]-4-methyl-thia-zole-5-carboxylic acid pyridine solvate.

ABSTRACT: In the title compound, C(16)H(16)N(2)O(3)S·C(5)H(5)N, the benzene and thia-zole rings of the Febuxostat [2-(3-cyano-4-isobut-yloxy)phenyl-4-methyl-5-thia-zolecarboxylic acid] mol-ecule are almost coplanar [dihedral angle = 2.4?(1)°]. The carboxyl group is coplanar with the thia-zole ring [O-C-C-C and O-C-C-S torsion angles of -0.7?(4) and 0.6?(3)°, respectively]. The pyridine mol-ecule of crystallization is linked to the Febuxostat mol-ecule through an O-H?N hydrogen bond. A weak ?-? stacking inter-action is observed between the benzene ring of the Febuxostat mol-ecule and pyridine mol-ecule, with a centroid-centroid distance of 3.7530?(18)?Å.

SUBMITTER: Zhu X 

PROVIDER: S-EPMC2971045 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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2-[3-Cyano-4-(2-methyl-prop-oxy)phen-yl]-4-methyl-thia-zole-5-carboxylic acid pyridine solvate.

Zhu Xiong X   Wang Yue Y   Lu Tao T  

Acta crystallographica. Section E, Structure reports online 20091003 Pt 11

In the title compound, C(16)H(16)N(2)O(3)S·C(5)H(5)N, the benzene and thia-zole rings of the Febuxostat [2-(3-cyano-4-isobut-yloxy)phenyl-4-methyl-5-thia-zolecarboxylic acid] mol-ecule are almost coplanar [dihedral angle = 2.4 (1)°]. The carboxyl group is coplanar with the thia-zole ring [O-C-C-C and O-C-C-S torsion angles of -0.7 (4) and 0.6 (3)°, respectively]. The pyridine mol-ecule of crystallization is linked to the Febuxostat mol-ecule through an O-H⋯N hydrogen bond. A weak π-π stacking in  ...[more]

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