Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)

organic compounds

lh5583 scheme

Acta Cryst. (2013). E69, o398-o399 [ doi:10.1107/S1600536813004352 ]

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

R. Babykala and D. Kalaivani

Abstract: In the anion of the title salt, C₁₀H₁₆N⁺·C₁₀H₄ClN₄O₇^- [trivial name = N,N-diethylanilinium 5-(3-chloro-4,6,-dinitrophenyl)barbiturate], the dihedral angle between the benzene and pyrimidine rings is 45.49 (6)°. The mean plane of the nitro group, which is ortho-substituted with respect to the pyrimidine ring, is twisted by 41.57 (13)° from the benzene ring, while the mean plane of the nitro group, which is para-substituted, is twisted by 14.41 (12)° from this ring. In the crystal, N-HO hydrogen bonds link cations and anions into chains along [1-10]. Within the chains, inversion-related anionic barbiturate anions form R₂²(8) ring motifs.


	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536813004352/lh5583sup0.html ] Supplementary materials

	Chemical Markup Language (CML) file (8.2 kbytes) [ doi:10.1107/S1600536813004352/lh5583Isup3.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.

Search: From to Advanced search