目的 培養(yǎng)DL-乳酸伏硫西汀的單晶，并對其進行結構表征。方法 通過溶劑揮發(fā)法制備DL-乳酸伏硫西汀單晶，并采用熱重分析儀（TGA）、差示掃描量熱儀（DSC）、傅立葉變換紅外光譜儀（IR）、粉末X射線衍射儀（PXRD）和單晶X射線衍射儀（SXRD）對其結晶形態(tài)進行表征。結果 乙腈溶劑揮發(fā)法可以制備得到β晶型DL-乳酸伏硫西汀無色立方狀單晶，其DSC和PXRD圖譜與文獻報道一致。單晶X射線衍射結果表明DL-乳酸伏硫西汀的化學計量式為C₂₁H₂₈N₂O₃S，相對分子質量為388.51，晶體密度為1.246 g/cm³，該晶胞屬于單斜晶系，空間群為P2_1/c。結論 采用X射線單晶衍射確證了DL-乳酸伏硫西汀單晶的結構，為DL-乳酸伏硫西汀的進一步開發(fā)提供了研究基礎。

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

泰安市科技創(chuàng)新發(fā)展項目（2020NS075）；泰山學院引進人才科研啟動基金項目（Y-01-2018012）