Synthesis, Crystal Structural, and Spectral Characterisation of Dabigatran Etexilate Tetrahydrate

Dabigatran etexilate tetrahydrate, C34H49N7O9, has been crystallised at ambient conditions. The colourless crystal was investigated using X-ray crystallography with single crystals and powder techniques, and was characterised by thermogravimetric-differential thermal analysis (TG-DTA) and infrared s...

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Bibliographic Details
Published in:Journal of chemical research 2016-08, Vol.40 (8), p.461-466
Main Authors: Cai, Zhi-Qiang, Hou, Xu, Kong, Du-Lin, Hou, Ling, Hu, Zhi-Quan
Format: Article
Language:English
Subjects:
Crystal structure
Crystals
Hydrogen bonds
Infrared radiation
Infrared spectroscopy
Ring structures
Spectra
X-rays
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Summary:Dabigatran etexilate tetrahydrate, C34H49N7O9, has been crystallised at ambient conditions. The colourless crystal was investigated using X-ray crystallography with single crystals and powder techniques, and was characterised by thermogravimetric-differential thermal analysis (TG-DTA) and infrared spectroscopy (IR). The compound was shown to be a tetrahydrate. A dabigatran etexilate molecule and four water molecules form a large ring structure, and intra-molecular hydrogen bonds contribute to the formation of a stable molecule in the unit cell.
ISSN:1747-5198
2047-6507
DOI:10.3184/174751916X14664340623037