Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



ld2101 scheme

Acta Cryst. (2013). E69, o1247-o1248    [ doi:10.1107/S1600536813018795 ]

7-Benzyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-7-ium chloride 0.75-hydrate

H. Guo-Li, L. Bo and K. Jun-Feng

Abstract: Theasymmetric unit of the title salt, C19H17N2S+·Cl-·0.75H2O, contains two symmetrically independent formula units of the carbenium salt along with three water molecules. The water molecules are only 50% occupated, and one of them is positioned in a hydrophobic pocket not forming any hydrogen bonds. The conformation of the independent cations is very similar, with dihedral angles of 61.0 (2) and 61.5 (3)° between the benzene rings. They form quasi-centrosymmetric couples via [pi]-[pi] stacking interactions between the benzene and imidazo[2,1-b]thiazole rings [centroid-centroid distances = 3.718 (3) and 3.663 (3) Å]. In the crystal, O-H...Cl hydrogen bonds lead to the formation of a helical anion-water chain along the c-axis direction. The cations connect to the anion-water chain through C-H...Cl interactions, generating a three-dimensional supramolecular network. O-H...S hydrogen bonds and C-H...O interactions also occur.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813018795/ld2101sup0.html ]
Supplementary materials


tifdisplay filedownload file

Tagged Image Format File (TIF) image (829.5 kbytes)
[ doi:10.1107/S1600536813018795/ld2101Isup3.tif ]
Supplementary material


tifdisplay filedownload file

Tagged Image Format File (TIF) image (11.7 kbytes)
[ doi:10.1107/S1600536813018795/ld2101Isup4.tif ]
Supplementary material


tifdisplay filedownload file

Tagged Image Format File (TIF) image (11.7 kbytes)
[ doi:10.1107/S1600536813018795/ld2101Isup5.tif ]
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