目的 培养盐酸去甲金霉素的单晶，进行结构表征。方法 用水培养单晶，使用热重法（TGA）、粉末X射线衍射（PXRD）、单晶X射线衍射（SXRD）检测分析。结果 制备的盐酸去甲金霉素为无色粒状晶体，晶胞属于单斜晶系，空间群为P2₁，分子式为C₂₁H₂₁ClN₂O₈·HCl·3H₂O，相对分子质量为555.35，晶体密度为1.593 mg/mm³，绝对构型为S,S,S,S,S构型。结论 证明了盐酸去甲金霉素的立体构型，培养的晶体晶型为三水合物。

Objective To cultivate single crystal of demeclocycline hydrochloride, and to characterize its structure. Methods Cultivate single crystals with water, and TGA, PXRD, and SXRD were used to detect and analyze. Results Demeclocycline hydrochloride colorless granular crystal was obtained. Crystal in demeclocycline hydrochloride was confirmed to be monoclinic lattice with space group P2₁. Moreover, the chemical formula and relative molecular mass were C₂₁H₂₁ClN₂O₈·HCl·3H₂O and 555.35. Crystal density were 1.593 mg/mm³, and absolute configuration was (S,S,S,S,S). Conclusion Crystal structure of demeclocycline hydrochloride is characterized, and the crystal form is demeclocycline hydrochloride trihydrate.

R914

工业与信息化部化学原料药环保安全技术服务平台项目（2020-0107-3-1）