Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)

organic compounds

Acta Cryst. (2012). E68, o3385    [ doi:10.1107/S1600536812046673 ]

Dabigatran etexilate tetra­hydrate

H.-Q. Liu, W.-G. Zhang, Z.-Q. Cai, W.-R. Xu and X.-P. Shen

Abstract: In the title compound, C34H41N7O5·4H2O (systematic name: ethyl 3-{[2-({4-[(Z)-amino­(hexyl­oxycarbonyl­imino)­meth­yl]anilino}meth­yl)-1-meth­yl­benzimidazole-5-carbon­yl]pyridin-2-yl­amino}­propano­ate tetra­hydrate), the benzene and pyridine rings form dihedral angles of 5.4 (1) and 43.8 (1)°, respectively, with the benzimidazole mean plane. The terminal butyl group is disordered over two conformations in a 0.756 (10):0.244 (10) ratio. There is an intramolecular N-H...O hydrogen bond present. In the crystal, the water mol­ecules are involved in the formation of O-H...O, O-H...N and N-H...O hydrogen bonds, which link the components into layers parallel to the ab plane.

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536812046673/cv5357sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file
[ doi:10.1107/S1600536812046673/cv5357Isup3.cml ]
Supplementary material


To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster