Structural Studies of Solvates of Cortisone Acetate

The crystal structures of C23H30O6 center dot C2H5OH and C23H30O6 center dot C3H7OH were determined by X-ray diffraction analysis at temperatures 100 K (space group P2(1), Z=2): a = 9.6973(4), b= 7.4950(3), c=16.1828(7) angstrom, beta=93.559(4)degrees, R =0 .0698 (C23H30O6 center dot C2H5OH); a = 9.8941(3), b =7 .3833(2), c =16.5816(5) angstrom, beta= 90.110(3)degrees, R=0.0318 (C23H30O6 center dot C3H7OH). The method molecular Voronoi-Dirichlet polyhedra were also used to analyze non-bonded interactions in the structures of solvate crystals. The analysis showed that the studied solvates are isostructural. There is a slight increase in the fraction of intermolecular H/H contacts for isopropanol solvate. [GRAPHICS] .

Automated summary

The crystal structures of C23H30O6·C2H5OH and C23H30O6·C3H7OH were determined by X-ray diffraction analysis, and the non-bonded interactions in the solvate crystals were analyzed using the molecular Voronoi-Dirichlet polyhedra method. The solvates were found to be isostructural, with a slight increase in the fraction of intermolecular H/H contacts in the isopropanol solvate.