Structural diversity of ethinyl estradiol solvates
Structural diversity of ethinyl estradiol solvates
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乙炔雌二醇溶剂化物的结构多样性
DOI：
10.1021/cg0702277
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发表时间：
2008
影响因子：
3.8
通讯作者：
R. Gelder
中科院分区：
文献类型：
--
作者：
C. Guguta;I. Eeuwijk;J. Smits;R. Gelder
通过大量的结晶实验研究了炔雌醇的（假）多晶型。从这项研究中产生的乙炔雌二醇溶剂化物的四个新的晶体结构。它们含有二氧六环、硝基甲烷、乙醇或二甲基甲酰胺。半水合物、甲醇化物和乙腈溶剂化物的晶体结构被重新测定以获得准确的氢原子位置。研究了炔雌醇不同溶剂化物的结构细节，以了解炔雌醇溶剂化物形成的范围。炔雌醇形成许多溶剂化物，大多数溶剂具有H键接受或接受和给予倾向。尽管我们进行了相当全面的研究，但没有发现炔雌醇无水物的真正多晶型。
The (pseudo)polymorphism of ethinyl estradiol was investigated via extensive crystallization experiments. Four new crystal structures of ethinyl estradiol solvates that resulted from this study are presented. They contain dioxane, nitromethane, ethanol, or dimethylformamide. The crystal structures of the hemihydrate, methanolate, and acetonitrile solvate were redetermined to obtain the accurate hydrogen atom positions. The structural details of the different solvates of ethinyl estradiol were investigated in order to understand the scope of the solvate formation of ethinyl estradiol. Ethinyl estradiol forms many solvates, mostly with solvents having H-bond accepting or both accepting and donating propensity. Despite our rather comprehensive study, no true polymorph of ethinyl estradiol anhydrate was found.