Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 9 (September 2012)


organic compounds



tk5136 scheme

Acta Cryst. (2012). E68, o2700-o2701    [ doi:10.1107/S1600536812034691 ]

5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole

B. Liu, J. C. Tomé, L. Cunha-Silva and F. A. Almeida Paz

Abstract: The asymmetric unit of the title compound, C4H5N7, comprises two independent but virtually superimposable molecules. Each molecule is planar with the dihedral angles between the five-membered rings being 2.8 (3) and 2.1 (3)°. The crystal structure is formed by an extensive network of relatively strong N-H...N hydrogen-bond interactions. Individual molecules are arranged into supramolecular zigzag chains running parallel to [001] by way of the strongest N-H...N interactions. Adjacent chains are interconnected by rather long (D...A distances range from ca 3.00 to 3.03 Å) but highly directional (interaction angles above ca 173°) hydrogen bonds forming a supramolecular layer in the bc plane.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536812034691/tk5136sup0.html ]
Supplementary materials


cdxdisplay filedownload file

Chemdraw file (2.0 kbytes)
[ doi:10.1107/S1600536812034691/tk5136Isup3.cdx ]
Supplementary material


cmldisplay filedownload file

Chemical Markup Language (CML) file (3.1 kbytes)
[ doi:10.1107/S1600536812034691/tk5136Isup4.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