Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)


organic compounds



xu5702 scheme

Acta Cryst. (2013). E69, o1086    [ doi:10.1107/S1600536813015699 ]

Carbamoyl(diaminomethylidene)azanium 3-nitro-5-oxo-4,5-dihydro-1H-1,2,4-triazol-4-ide

X.-P. Huang, B.-Z. Wang, D.-P. Li and S. W. Ng

Abstract: In the anion of the title salt, C2H7N4O+·C2HN4O3-, the negative charge resides formally on the N3 atom of the triazole ring. In the crystal, the N3 and exocyclic O atoms are hydrogen-bond acceptors with respect to the formally double-bond iminium and amido N atoms of the cation. The cation and anion are almost planar (r.m.s. deviations = 0.012 and 0.051 Å, respectively), but they are slightly bent with respect to each other [dihedral angle = 12.6 (1)°]. In the crystal, adjacent anions and cations are linked by extensive N-H...N and N-H...O hydrogen bonds, generating a ribbon running along the b-axis direction.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S1600536813015699/xu5702sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (4.2 kbytes)
[ doi:10.1107/S1600536813015699/xu5702Isup3.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