Physicochemical characterization of deflazacort: thermal analysis, crystallographic and spectroscopic study?

ELSEVIER SCIENCE INC

Año: 2007 vol. 72 p. 261 - 261

The solid state properties of deflazacort (1-(1,16)-21-(acetyloxy)-11-hydroxy-2-methyl-5H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, 1) were investigated using differentialscanning calorimetry (DSC), thermogravimetry (TG), single-crystal X-ray diffraction, solidand liquid nuclear magnetic resonance spectroscopy (13C NMR), Fourier transform infraredand Raman spectroscopy (FTIR and FT Raman). From the trends observed in the crystalstructure and spectral data some conclusions can be made about hydrogen bonding,molecular conformation and crystal packing. Compound 1 crystallizes in an orthorhombiccell, space group P212121 and the following lattice parameters: a = 11.2300(5), b = 12.8161(8),c = 16.171(1)A˚ , V: 2327.4(2)A˚ 3, Dc: 1.260 g/cm3, R1 = 0.0479, wR2 = 0.1012. The crystal structureis stabilized by intra and intermolecular interactions, which provides for a very closelypacked form. The NMR data indicated that 1