粉末衍射
结晶
单斜晶系
多态性(计算机科学)
材料科学
氢键
水合物
Crystal(编程语言)
相变
阿帕蒂尼
作者
Bin Zhu,Jian-Rong Wang,Guobin Ren,Xuefeng Mei
标识
DOI:10.1021/acs.cgd.6b01230
摘要
Apatinib mesylate (ATM) is an orally administrated anticancer agent for the treatment of advanced gastric cancer. Single-crystal structures of four ATM solid forms, including two anhydrous polymorphs (I and II) and hydrates (HA and HB), were elucidated by single-crystal X-ray diffraction. The properties of these various forms were fully characterized by powder X-ray diffraction, differential scanning calorimetry, thermogravimetric analysis, Fourier transform-infrared spectroscopy, and Raman spectroscopy. The discrepant molecule conformations, H-bonding interactions, and packing arrangements in the crystal structures were analyzed associated with the hygroscopicity of forms I and II. Various form transformations induced by either moisture or solution conditions were examined, and the relative stability was established. The results revealed that HA is the most thermodynamically stable form and is superior to the currently marketed form.
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