结晶学
结晶
衍射
电子晶体学
晶体结构
滑脱
材料科学
电子衍射
Crystal(编程语言)
多态性(计算机科学)
灵活性(工程)
化学
有机化学
复合材料
计算机科学
物理
数学
光学
基因型
程序设计语言
统计
基因
生物化学
作者
Molly Lightowler,Shuting Li,Xiao Ou,Xiaodong Zou,Ming Lü,Hongyi Xu
标识
DOI:10.1002/anie.202114985
摘要
Indomethacin is a clinically classical non-steroidal anti-inflammatory drug that has been marketed since 1965. The third polymorph, Form δ, was discovered by both melt and solution crystallization in 1974. δ-indomethacin cannot be cultivated as large single crystals suitable for X-ray crystallography and, therefore, its crystal structure has not yet been determined. Here, we report the structure elucidation of δ-indomethacin by 3D electron diffraction and reveal the truth that melt-crystallized and solution-crystallized δ-indomethacin are in fact two polymorphs with different crystal structures. We propose to keep the solution-crystallized polymorph as Form δ and name the melt-crystallized polymorph as Form θ. Intriguingly, both structures display plastic flexibility based on a slippage mechanism, making indomethacin the first drug to have two plastic polymorphs. This discovery and correction of a 47-year-old misunderstanding signify that 3D electron diffraction has become a powerful tool for polymorphic structural studies.
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