Crystal structure of methylprednisolone acetate form II, C24H32O6

The crystal structure of methylprednisolone acetate form II, C24H32O6 , has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Methylprednisolone acetate crystallizes in space group P2(1)2(1)2(1) (#19) with a = 8.17608(2), b = 9.67944(3), c = 26.35176(6) angstrom, V = 2085.474(6) angstrom(3) , and Z = 4. Both hydroxyl groups act as hydrogen bond donors, resulting in a two-dimensional hydrogen bond network in the ab plane. C-H center dot center dot center dot O hydrogen bonds also contribute to the crystal energy. The powder pattern is included in the Powder Diffraction File (TM) as entry 00-065-1412. (C) 2018 International Centre for Diffraction Data.