Physicochemical characterization of Deflazacort: Termal análisis, crystallographic and spectroscopic study

SILVIA L. CUFFINI, JAVIER F. ELLENA, YVONNE P. MASCARENHAS, ALEJANDRO P. AYALA, HEINZ W. SIELSER, JOSUÉ MENDES FILHO, GUSTAVO A. MONTI, VIRGINIA AIASSA AND NORMA R.

Elsevier

Año: 2007 vol. 72 p. 261 - 261

he 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 differential scanning calorimetry (DSC), thermogravimetry (TG), single-crystal X-ray diffraction, solid and liquid nuclear magnetic resonance spectroscopy (13C NMR), Fourier transform infrared and Raman spectroscopy (FTIR and FT Raman). From the trends observed in the crystal structure and spectral data some conclusions can be made about hydrogen bonding, molecular conformation and crystal packing. Compound 1 crystallizes in an orthorhombic cell, 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 structure is stabilized by intra and intermolecular interactions, which provides for a very closely packed form. The NMR data indicated that 1 shows a similar conformation in solid and liquid s