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)
化学
有机化学
复合材料
计算机科学
物理
光学
基因型
程序设计语言
基因
生物化学
作者
Molly Lightowler,Shuting Li,Xiao Ou,Xiaodong Zou,Ming Lu,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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