Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 12 (December 2013)


organic compounds



gg2130 scheme

Acta Cryst. (2013). E69, o1737-o1738    [ doi:10.1107/S1600536813027542 ]

Venlafaxine besylate monohydrate

C. H. Corvalan and D. R. Vega

Abstract: The title compound {systematic name: [2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylazanium benzene­sulfonate monohydrate}, C17H28NO2+·C6H5O3S-·H2O, is a besylate salt hydrate of the anti­depressant drug venlafaxine. In the crystal, besylate anions and water mol­ecules self-assemble, forming hydrogen-bonded dimers linked around inversion centers, with graph set R44(6). The crystal packing features a chain of alternate dimers and venlafaxine cations in the b-axis direction with the components linked by O-H...O hydrogen bonds and C-H...O and C-H...[pi] inter­actions. This is the first example of a venlafaxine cation with a closed conformation, as it features an intra­molecular N-H...O inter­action involving the protonated N atom.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813027542/gg2130sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (9.1 kbytes)
[ doi:10.1107/S1600536813027542/gg2130Isup3.cml ]
Supplementary material


Notes:

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