| 引用本文: | 张亮,姚莉丽,施珍娟,张相洋.(1R,2S)-2-(3,4-二氟苯基)环丙胺扁桃酸盐单晶的制备及结构解析[J].中国现代应用药学,2018,35(1):1-4. |
| ZHANG Liang,YAO Lili,SHI Zhenjuan,ZHANG Xiangyang.Growth and crystal structure of (1R, 2S)-2-(3, 4-difluorophenyl) cyclopropanamine(S)-(carboxylato(phenyl) methyl) holmium single crystals[J].Chin J Mod Appl Pharm(中国现代应用药学),2018,35(1):1-4. |
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| (1R,2S)-2-(3,4-二氟苯基)环丙胺扁桃酸盐单晶的制备及结构解析 |
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张亮1,2, 姚莉丽2, 施珍娟2, 张相洋1
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1.华东理工大学化学工程联合国家重点实验室, 上海 200237;2.浙江海正药业股份有限公司, 浙江 台州 318000
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| 摘要: |
| 目的 制备（1R，2S）-2-（3，4-二氟苯基）环丙胺扁桃酸盐（TCGM3）单晶，并对其空间结构进行解析。方法 通过优化溶剂、温度等结晶工艺参数，制备TCGM3单晶，采用单晶X射线衍射技术对其进行空间结构解析。结果 外形完整的TCGM3单晶可通过甲醇体系室温蒸发4 d得到。单晶X射线衍射结果表明TCGM3晶胞属于正交晶系，P212121空间群，结构偏离因子R=0.04，分子式为C17H17F2NO3，相对分子质量为321.32 g·mol-1，立体构型与预测构型一致。结论 通过单晶培养及对其进行单晶X射线衍射分析和结构解析，确证了TCGM3的空间结构。 |
| 关键词: TCGM3 单晶 单晶X射线衍射 结构解析 |
| DOI：10.13748/j.cnki.issn1007-7693.2018.01.001 |
| 分类号:R913 |
| 基金项目:国家自然科学基金项目（21406071）；中央高校基本科研业务项目（22A201514006） |
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| Growth and crystal structure of (1R, 2S)-2-(3, 4-difluorophenyl) cyclopropanamine(S)-(carboxylato(phenyl) methyl) holmium single crystals |
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ZHANG Liang1,2, YAO Lili2, SHI Zhenjuan2, ZHANG Xiangyang1
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1.State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China;2.Hisun Co., Ltd., Taizhou 318000, China
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| Abstract: |
| OBJECTIVE To prepare single crystals of (1R, 2S)-2-(3, 4-difluorophenyl) cyclopropanamine(S)-(carboxylato(phenyl) methyl) holmium (TCGM3), and to confirm the corresponding spatial structure. METHODS Crystallization conditions including solvents and temperature were investigate to grow single crystals of TCGM3. Then, the crystal structure was solved by single crystal X-ray diffraction (SXRD) analysis. RESULTS Perfect single crystals of TCGM3 had been grown by evaporation in methnaol for 4 d at ambient temperature. SXRD confirmed the the orthorhombic lattice with space group P212121 in TCGM3 crystal with a refinement value (R) of 0.04. Moreover, the chemical formula and relative molecular mass were C17H17F2NO3 and 321.32 g·mol-1, respectively. The measured crystal structure was in good agreement with the predicted one. CONCLUSION Single crystals of TCGM3 are obtained. On this basis, crystal structure of TCGM3 is characterized through SXRD. |
| Key words: TCGM3 single crystal SXRD structure characterization |
