期刊
ORGANIC PROCESS RESEARCH & DEVELOPMENT
卷 22, 期 10, 页码 1365-1372出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.oprd.8b00149
关键词
precession electron diffraction; electron diffraction tomography; crystal structure; ramelteon; tolvaptan
资金
- Romanian National Authority for Scientific Research [POSCCE ID536]
The crystal structures of two important marketed pharmaceuticals, namely, ramelteon (RAM) and tolvaptan (TOL), were determined for the first time using 3D precession electron diffraction tomography (PEDT) on 500 nm-sized crystals. The results were compared with the same structures determined by single-crystal X-ray diffraction on subsequently grown 50-200 mu m single crystals, indicating a good match of molecular conformation, crystal packing, and unit cell parameters. The X-ray crystal structures were used to validate the developed workflow of data acquisition and structure solution with electron diffraction. This study highlights that 3D PEDT alone is able to provide accurate crystal structures from pharmaceutical nanocrystals that will suffice for most practical applications when no larger crystals can be grown.
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