[23(23E,25R]-23(28)-(3′-Acetoxybenzyliden)-5α-spirostan-3β-ol acetate herein described showed a high tendency to crystallize, growing two solvent-free forms and six solvates that were solved by X-ray diffraction experiments. Molecules in each crystal showed important differences in their crystal packing and molecular conformations, especially in the positions adopted by the benzylidene moiety. Calorimetric and powder X-ray diffraction experiments revealed that, after desolvation, all but one of the solvates undergo a phase transition toward a crystalline solvent-free form. The analysis of these arrays, phase transitions, and the accompanying conformational changes can help to understand the interplay among the solvent, the framework flexibility, and the intermolecular interactions in the solid-state structure of biologically active molecules.

中文翻译：

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构象拟态类固醇的相变：[23（23 E，25R] -23（28）-（3'-乙酰氧基苄基）-5α-螺氧烷-3β-醇乙酸酯

[23（23 E在此描述的，， 25R] -23（28）-（3'-乙酰氧基苄叉基）-5α-螺氧杂环丁烷-3β-醇乙酸酯显示出很高的结晶趋势，生长出两种无溶剂形式和六种溶剂化物，这些溶剂化物通过X射线衍射解析实验。每个晶体中的分子在其晶体堆积和分子构象，特别是在亚苄基部分所采用的位置，都显示出重要的差异。量热法和粉末X射线衍射实验表明，去溶剂化后，除一种溶剂化物外，所有溶剂化物都经历向无结晶溶剂形式的相变。这些阵列，相变和伴随的构象变化的分析可以帮助理解溶剂之间的相互作用，构架的柔性以及生物活性分子的固态结构中的分子间相互作用。