Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 1 (January 2012)


organic compounds



xu5407 scheme

Acta Cryst. (2012). E68, o222    [ doi:10.1107/S1600536811054523 ]

4-(2,2-Difluoro-1,3-benzodioxol-4-yl)-1H-pyrrole-3-carbonitrile

F.-W. Meng, G.-F. Hou, Y.-H. Yu and J.-S. Gao

Abstract: In the title compound, C12H6F2N2O2, the 2,2-difluoro-1,3-benzodioxole ring system is approximately planar [maximum deviation = 0.012 (2) Å] and its mean plane is twisted with respect to the pyrrole ring, making a dihedral angle of 2.51 (9)°. In the crystal, N-H...N hydrogen bonds link the molecules into chains running along the a axis. [pi]-[pi] stacking is also observed between parallel benzene rings of adjacent molecules, the centroid-centroid distance being 3.7527 (13) Å.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file (48.6 kbytes)
[ doi:10.1107/S1600536811054523/xu5407sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (4.3 kbytes)
[ doi:10.1107/S1600536811054523/xu5407Isup3.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