N,N-Diethyl-anilinium 5-(5-chloro-2,4-dinitro-phen-yl)-2,6-dioxo-1,2,3,6-tetra-hydro-pyrimidin-4-olate.

ABSTRACT: In the anion of the title salt, C10H16N(+)·C10H4ClN4O7(-) [trivial name = N,N-diethyl-anilinium 5-(3-chloro-4,6,-dinitro-phen-yl)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 R2(2)(8) ring motifs.

SUBMITTER: Babykala R 

PROVIDER: S-EPMC3588430 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature