Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 1 (January 2013)


organic compounds



su2535 scheme

Acta Cryst. (2013). E69, o3-o4    [ doi:10.1107/S160053681204874X ]

N,N-Diethylanilinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate

D. Kalaivani and G. Mangaiyarkarasi

Abstract: The asymmetric unit of the title molecular salt, C10H16N+·C10H5N4O7- (trivial name: N,N-diethylanilinium 2,4-dinitrophenylbarbiturate), comprises two anion-cation units. In the anions, the dinitrophenyl ring and the mean plane of the barbiturate ring [planar to within 0.011 (2) and 0.023 (2) Å in the two anions] are inclined to one another by 41.47 (9) and 45.12 (9)°. In the crystal, the anions are linked via strong N-H...O hydrogen bonds, forming chains propagating along [10-1]. Within the chains, adjacent inversion-related anionic barbiturate entities are joined through R22(8) ring motifs. The cations are linked to the chains via N-H...O hydrogen bonds. The chains are linked via a number of C-H...O interactions, forming a three-dimensional structure.


htmldisplay filedownload file

Hyper-Text Markup Language (HTML) file
[ doi:10.1107/S160053681204874X/su2535sup0.html ]
Supplementary materials


cmldisplay filedownload file

Chemical Markup Language (CML) file (8.1 kbytes)
[ doi:10.1107/S160053681204874X/su2535Isup3.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