Acta Crystallographica Section E (Mar 2013)

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

  • D. Kalaivani,
  • R. Babykala

DOI
https://doi.org/10.1107/S1600536813004352
Journal volume & issue
Vol. 69, no. 3
pp. o398 – o399

Abstract

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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—H...O hydrogen bonds link cations and anions into chains along [1-10]. Within the chains, inversion-related anionic barbiturate anions form R22(8) ring motifs.