文献类型：期刊文献

英文题名：Four solid forms of filgotinib hydrochloride: Insight into the crystal structures, properties, stability, and solid-state transitions

作者：Qi, Ming-Hui[1];Zhang, Qiao-Dan[1];Liu, Yang[1];Ren, Fu-Zheng[1];Ren, Guo-Bin[1]

机构：[1]East China Univ Sci & Technol, Sch Pharm, Lab Pharmaceut Crystal Engn & Technol, 130 Meilong Rd, Shanghai 200237, Peoples R China

年份：2019

卷号：1178

起止页码：242

外文期刊名：JOURNAL OF MOLECULAR STRUCTURE

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000451491200025)】；

基金：This work was supported by the National Natural Science Foundation of China (No. 21706064, No. 21776073) and Fundamental Research Funds for the Central Universities (No. 222201814049).

语种：英文

外文关键词：Filgotinib hydrochloride; Solid forms; Solvates; Crystal structure; Solid-state transition

摘要：Four solid forms of filgotinib hydrochloride were introduced in this study, including form A (trihydrate), form B (DMF solvate), form C (DMSO-water solvate) and form D (anhydrate). Single-crystal structures of the three pseudopolymorphs were elucidated by single-crystal X-ray diffraction. The results show that both form B and C are crystallized in the P(-)1 space group with similar packing arrangement, while form A is in the P2(1)/n space group. The host molecule conformations, H-bonding interactions, and packing arrangements of these single crystals were analyzed also. Besides, Hirshfeld surface analysis were used to compare the intermolecular interactions in these crystal structures. The properties of these solid forms were fully characterized by powder X-ray diffraction, differential scanning calorimetry, thermogravimetric analysis and Fourier transform infrared spectroscopy. The transformation relationship and the solid-state stability of all forms under different conditions were examined. Form A is proved to be the most stable form under normal storage conditions. However, solid-state transition experiment shows that it would transform to the corresponding solvate form under specific solvent atmosphere. (C) 2018 Elsevier B.V. All rights reserved.