Co-Crystal Structures Of Furosemide:Urea And Carbamazepine:Indomethacin Determined From Powder X-Ray Diffraction Data

CRYSTALS(2020)

引用 11|浏览7
暂无评分
摘要
Co-crystallization is a promising approach to improving both the solubility and the dissolution rate of active pharmaceutical ingredients. Crystal structure determination from powder diffraction data plays an important role in determining co-crystal structures, especially those generated by mechanochemical means. Here, two new structures of pharmaceutical interest are reported: a 1:1 co-crystal of furosemide with urea formed by liquid-assisted grinding and a second polymorphic form of a 1:1 co-crystal of carbamazepine with indomethacin, formed by solvent evaporation. Energy minimization using dispersion-corrected density functional theory was used in finalizing both structures. In the case of carbamazepine:indomethacin, this energy minimization step was essential in obtaining a satisfactory final Rietveld refinement.
更多
查看译文
关键词
co-crystal, powder diffraction, global optimization, DFT, pharmaceuticals, Rietveld refinement
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要