Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 11 (November 2012)

organic compounds

Acta Cryst. (2012). E68, o3122    [ doi:10.1107/S1600536812042274 ]


C.-G. Fan, J.-C. Chen, H. Dai, Y.-H. Wei and Y.-J. Shi

Abstract: In the title mol­ecule, C16H16BrN5O3S, the 1,3,4-thia­diazole ring is situated under the benzene ring, forming a dihedral angle of 86.6 (2)°, and with an S...Cg (where Cg is the centroid of the benzene ring) distance of 3.312 (3) Å. The benzene and 1,3,4-thia­diazole rings form dihedral angles of 83.8 (3) and 57.7 (2)°, respectively, with the central pyrazole ring. In the absence of classical hydrogen bonds, the crystal packing is stabilized by a C-H...[pi] inter­action..

htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536812042274/cv5348sup0.html ]
Supplementary materials

cmldisplay filedownload file

Chemical Markup Language (CML) file
[ doi:10.1107/S1600536812042274/cv5348Isup3.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