Abstract
The asymmetric unit of the title compound [systematic name: 2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid–acetic acid (1/1)], C16H16N2O3S·CH3COOH, contains a febuxostat molecule and an acetic acid molecule. In the febuxostat molecule, the thiazole ring is nearly coplanar with the benzene ring [dihedral angle = 3.24 (2)°]. In the crystal, the febuxostat and acetic acid molecules are linked by O—H⋯O, O—H⋯N hydrogen bonds and weak C—H⋯O hydrogen bonds, forming supramolecular chains propagating along the b-axis direction. π–π stacking is observed between nearly parallel thiazole and benzene rings of adjacent molecules; the centroid-to-centroid distances are 3.8064 (17) and 3.9296 (17) Å.
Highlights
The asymmetric unit of the title compound [systematic name: 2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid–acetic acid (1/1)], C16H16N2O3SÁCH3COOH, contains a febuxostat molecule and an acetic acid molecule
The thiazole ring is nearly coplanar with the benzene ring [dihedral angle = 3.24 (2)]
The febuxostat and acetic acid molecules are linked by O—HÁ Á ÁO, O—HÁ Á ÁN hydrogen bonds and weak C—HÁ Á ÁO hydrogen bonds, forming supramolecular chains propagating along the b-axis direction. – stacking is observed between nearly parallel thiazole and benzene rings of adjacent molecules; the centroid-to-centroid distances are 3.8064 (17) and 3.9296 (17) A
Summary
The asymmetric unit of the title compound [systematic name: 2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid–acetic acid (1/1)], C16H16N2O3SÁCH3COOH, contains a febuxostat molecule and an acetic acid molecule. The thiazole ring is nearly coplanar with the benzene ring [dihedral angle = 3.24 (2)]. The febuxostat and acetic acid molecules are linked by O—HÁ Á ÁO, O—HÁ Á ÁN hydrogen bonds and weak C—HÁ Á ÁO hydrogen bonds, forming supramolecular chains propagating along the b-axis direction. – stacking is observed between nearly parallel thiazole and benzene rings of adjacent molecules; the centroid-to-centroid distances are 3.8064 (17) and 3.9296 (17) A
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