目的 验证所合成的化合物为目标产物——帕拉米韦中间体酯化物及帕拉米韦成品，并通过X射线衍射技术探讨化合物晶型。方法 选择适宜的条件，培养出适合单晶X射线衍射分析的单晶体，对所得单晶数据进行结构解析，得到化合物的三维空间结构信息，与文献进行比对；同时通过单晶结构数据模拟获得化合物的粉末X射线衍射理论图谱，用于晶型研究。结果 单晶X射线衍射结构分析结果表明，帕拉米韦中间体酯化物及成品的化学结构、构型与文献报道完全一致；粉末X射线衍射理论图谱可作为晶型对照图谱使用，并进一步表明中间体存在多晶型现象。结论 单晶X射线衍射分析法可准确测定含多手性中心的帕拉米韦中间体酯化物及成品的空间结构，充分证实了该药物合成过程与结果的正确性；粉末X射线衍射理论图谱可为化合物晶型研究提供有力支持。

Objective To validate the synthesized compounds to be the target products—peramivir esterized intermediate and peramivir and discuss the polymorphs of compounds by X-ray diffraction technique. Methods Suitable conditions were selected to cultivate single crystal for the single crystal X-ray diffraction (SXRD), the crystal structure data were analyzed and then three-dimensional structure information of these compounds were obtained and compared with the literature. Meanwhile, the crystal structure data were simulated to obtain powder X-ray diffraction (PXRD) theoretical graphs of compounds for the study of polymorphs. Results SXRD results showed that the chemical structures and configurations of peramivir intermediate and product were completely consistent with those in the literature; PXRD theoretical graphs could be used as standard graphs of polymorphs and proved that polymorphism existed in the intermediate. Conclusion SXRD could be used to determine the space structure of peramivir intermediate and product with multiple chiral centers accurately and fully confirm the correctness of the drug synthesis and results; PXRD theoretical graphs could be used to provide a strong support for the study of polymorphs.