目的 培养DL-乳酸伏硫西汀的单晶，并对其进行结构表征。方法 通过溶剂挥发法制备DL-乳酸伏硫西汀单晶，并采用热重分析仪（TGA）、差示扫描量热仪（DSC）、傅立叶变换红外光谱仪（IR）、粉末X射线衍射仪（PXRD）和单晶X射线衍射仪（SXRD）对其结晶形态进行表征。结果 乙腈溶剂挥发法可以制备得到β晶型DL-乳酸伏硫西汀无色立方状单晶，其DSC和PXRD图谱与文献报道一致。单晶X射线衍射结果表明DL-乳酸伏硫西汀的化学计量式为C₂₁H₂₈N₂O₃S，相对分子质量为388.51，晶体密度为1.246 g/cm³，该晶胞属于单斜晶系，空间群为P2_1/c。结论 采用X射线单晶衍射确证了DL-乳酸伏硫西汀单晶的结构，为DL-乳酸伏硫西汀的进一步开发提供了研究基础。

Objective To prepare single crystal of vortioxetine DL-lactate, and investigate the structure characterization. Methods Evaporation method was used to grow single crystals of vortioxetine DL-lactate, which were then characterized using thermal gravimetric analyzer (TGA), differential scanning calorimetry (DSC), Fourier transform infrared spectrometer (IR), powder X-ray diffraction (PXRD), and single X-ray diffraction (SXRD). Results Single colorless block crystal of vortioxetine DL-lactate form β could be obtained through acetonitrile evaporation. DSC graph and PXRD spectrum was in good agreement with data reported in literatures. SXRD results showed that the unit stoichiometric of vortioxetine DL-lactate was C₂₁H₂₈N₂O₃S, and the relative molecular mass was 388.51, and crystal density was 1.246 g/cm³. The unit cell belonged to a monoclinic system, and the space group was P2_1/c. Conclusion Crystal structure of vortioxetine DL-lactate is characterized by single X-ray diffraction, which provides a basis for the further development of vortioxetine DL-lactate.

R962

泰安市科技创新发展项目（2020NS075）；泰山学院引进人才科研启动基金项目（Y-01-2018012）