7-羟基异黄酮的多晶型物和通用溶剂化物

Polymorphs and Versatile Solvates of 7-Hydroxyisoflavone.

作者信息

Gong Ningbo, Zhang Guoshun, Jin Guimin, Du Guanhua, Lu Yang

机构信息

Beijing Key Laboratory of Polymorphic Drugs, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China.

Beijing City Key Laboratory of Drug Target Identification and Drug Screening, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China.

出版信息

J Pharm Sci. 2016 Apr;105(4):1387-97. doi: 10.1016/j.xphs.2016.01.011. Epub 2016 Feb 28.

DOI:10.1016/j.xphs.2016.01.011

PMID:26935882

Abstract

7-hydroxyisoflavone has been crystallized, identified, and characterized as 2 solvent-free conformational polymorphs and 5 solvates, which differ from each other in the mode of packing and in molecular conformation. All the 7 crystal structures were previously unreported. The conformational polymorphs and solvates were compared by Hirshfeld surface and fingerprint plot analysis and were spectroscopically characterized by powder X-ray diffraction, differential scanning calorimetry, and thermal gravimetric analysis. Hydrogen bond played an important role in the formation of polymorphs. From this study, we can predict that more solvates could be cultivated in other polarity solvents such as isopropanol or 2-butanol at appropriate conditions.

摘要

7-羟基异黄酮已被结晶、鉴定，并被表征为2种无溶剂构象多晶型物和5种溶剂化物，它们在堆积方式和分子构象上彼此不同。所有这7种晶体结构以前均未报道。通过 Hirshfeld 表面和指纹图谱分析对构象多晶型物和溶剂化物进行了比较，并通过粉末X射线衍射、差示扫描量热法和热重分析对其进行了光谱表征。氢键在多晶型物的形成中起重要作用。从这项研究中，我们可以预测，在适当条件下，在其他极性溶剂如异丙醇或2-丁醇中可以培养出更多的溶剂化物。