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

ABSTRACT: The asymmetric unit of the title mol-ecular salt, C10H16N(+)·C10H5N4O7(-) (trivial name: N,N-diethyl-anilinium 2,4-dinitro-phenyl-barbiturate), comprises two anion-cation units. In the anions, the dinitro-phenyl 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 R2(2)(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 inter-actions, forming a three-dimensional structure.

SUBMITTER: Kalaivani D

PROVIDER: S-EPMC3588294 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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

Kalaivani Doraisamyraja D Mangaiyarkarasi Govindan G

Acta crystallographica. Section E, Structure reports online 20121205 Pt 1

The asymmetric unit of the title mol-ecular salt, C10H16N(+)·C10H5N4O7(-) (trivial name: N,N-diethyl-anilinium 2,4-dinitro-phenyl-barbiturate), comprises two anion-cation units. In the anions, the dinitro-phenyl 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 t ...[more]

PMID: 23476417

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