Abstract
There are two canagliflozin mol-ecules (A and B) and one water mol-ecule in the asymmetric unit of the title compound, C24H25FO5S·0.5H2O [systematic name: (2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluoro-phen-yl)thio-phen-2-yl]meth-yl}-4-methylphen-yl)-6-(hy-droxy-meth-yl)-3,4,5,6-tetra-hydro-2H-pyran-3,4,5-triol hemihydrate]. The dihedral angles between the methyl-benzene and thio-phene rings are 115.7 (4) and 111.7 (4)°, while the dihedral angles between the fluoro-benzene and thio-phene rings are 24.2 (6) and 20.5 (9)° in mol-ecules A and B, respectively. The hydro-pyran ring exhibits a chair conformation in both canagliflozin mol-ecules. In the crystal, the canagliflozin mol-ecules and lattice water mol-ecules are connected via O-H⋯O hydrogen bonds into a three-dimensional supra-molecular architecture.
Highlights
There are two canagliflozin molecules (A and B) and one water molecule in the asymmetric unit of the title compound, C24H25FO5S0.5H2O [systematic name:
The dihedral angles between the methylbenzene and thiophene rings are 115.7 (4) and 111.7 (4), while the dihedral angles between the fluorobenzene and thiophene rings are 24.2 (6) and 20.5 (9) in molecules A and B, respectively
The canagliflozin molecules and lattice water molecules are connected via O—H O hydrogen bonds into a threedimensional supramolecular architecture
Summary
Canagliflozin is a member of a new class of anti-diabetic drugs which are used to improve glycemic control of diabetics (Cefalu et al, 2013). The crystalline forms of canagliflozin have been reported (Mitsubishi et al, 2013; Ahmed et al, 2013; Chen et al, 2013), we report here the single-crystal structure of the title compound
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