Study on crystal structure and crystal habit of tofacitinib enantiomer
GUAN Hao-yue
SUN Jing-wen
NIU Jian-zhao
Abstract：Objective:To investigate the key solvents influencing the crystallization process of tofacitinib enantiomer and to explore the dominant crystal form.Methods:Recrystallization and suspension competition methods were used to study the crystallization of tofacitinib enantiomer in different solvents.Powder X-ray diffraction and infrared spectroscopy were used to characterize the crystalline forms of tofacitinib enantiomer.The crystal structure and crystal habit of tofacitinib enantiomer were simulated.Results:The tofacitinib enantiomer synthesized by ethanol was stable.The crystal characterization parameters can be used as an index to measure the raw material quality of tofacitinib enantiomer.The cell parameters of tofacitinib enantiomer are a=8.5591,b=27.0114,c=7.157 5,α=γ=90°,β=68.210 1,belonging to the single monoclinic system with the space group P21/c.Conclusion:Using ethanol as the crystallization solvent can effectively synthesize the dominant crystal form,so as to establish a crystallization process system more suitable for tofacitinib enantiomer,providing a theoretical basis and demonstration effect for the preparation of tofacitinib enantiomer.
Keywords：tofacitinib enantiomerpolymorphsuspension competitioncrystal habit
Publication Date：2026-04-15
Online Publishing Date：2026-08-14(First online date of this platform, not the publication date of the document)
Pages：5( 749-753 )