Abstract
In this study, three solvates of sorafenib tosylate were obtained from methanol, ethanol and n-methyl-2-pyrrolidone (NMP) after solvate screening and the effect of solvent on the formation of solvate was analyzed. The solvents with high value of polarity/dipolarity and appropriate hydrogen bond donor/acceptor propensity are more likely to form corresponding solvates. The crystal structures of the solvates were elucidated for the first time by using single crystal X-ray diffraction data. The analysis results indicate that methanol solvate and ethanol solvate are isostructural and hydrogen bonds could be formed between solvent molecules and sorafenib tosylate molecules. Hirshfeld surface analysis was used to research the interactions in the solvates, and the results reveal that the H···H, C···H/H···C and O···H/ H···O contacts play the vital role in molecular packing. In addition, three solvates were characterized by polarized light microscope, powder X-ray diffraction, thermogravimetric analysis and differential scanning calorimetry. The solvates show different thermodynamic stability in methanol +NMP and ethanol +NMP mixtures. Furthermore, the desolvation of solvates was studied by hot stage microscope and discussed.
Highlights
A common crystal form in the pharmaceutical industry [1,2], contains active pharmaceutical ingredient (API) molecules and solvent molecules within the crystal structure [3,4], and hydrates are the particular type of solvates with the solvent being water [5]
Solvates might exhibit different physicochemical properties compared with API, such as stability, solubility, dissolution rate, which could affect the bioavailability of pharmaceuticals [6,7,8]
Several methods have been used to characterize the solvates of ST, including polarized light microscope (PLM), powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA) and appropriate size for single crystal X-ray diffraction (SCXRD) was obtained
Summary
A common crystal form in the pharmaceutical industry [1,2], contains active pharmaceutical ingredient (API) molecules and solvent molecules within the crystal structure [3,4], and hydrates are the particular type of solvates with the solvent being water [5]. Solvates may exhibit the faster dissolution rate, higher solubility and better bioavailability than the stable crystal form of API [11,12,13]. The desolvation of solvates could be the effective even the only way to obtain certain polymorphs [13,14]. The crystal structures of three solvates obtained from methanol, ethanol and n-methyl-2-pyrrolidone (NMP) were determined by single crystal X-ray previous literature. Thediffraction, polarized light the effect of solvent properties on the formation of solvate was analysis analyzed.and. Method to obtain certain polymorphs, the desolvation behavior of three solvates was researched by a new NMP solvate was and analyzed. Certain polymorphs, the desolvation behavior of three solvates was researched by hot stage microscope and discussed
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