[Open access]

[Contents 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.


Copyright © International Union of Crystallography
IUCr Webmaster