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Synthesis, crystal structural, and spectral characterisation of dabigatran etexilate tetrahydrate
Journal of Chemical Research ( IF 1.0 ) Pub Date : 2016-08-01 , DOI: 10.3184/174751916x14664340623037
Zhi-Qiang Cai 1 , Xu Hou 1 , Du-Lin Kong 2 , Ling Hou 1 , Zhi-Quan Hu 1
Affiliation  

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.

中文翻译:

达比加群酯四水合物的合成、晶体结构和光谱表征

达比加群酯四水合物 C34H49N7O9 已在环境条件下结晶。使用单晶和粉末技术的 X 射线晶体学研究无色晶体,并通过热重-差热分析 (TG-DTA) 和红外光谱 (IR) 对其进行表征。该化合物显示为四水合物。一个达比加群酯分子和四个水分子形成一个大环结构,分子内氢键有助于在晶胞中形成稳定的分子。
更新日期:2016-08-01
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