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Triethyl­ammonium 1,3-dimethyl-5-(2,4,6-trinitro­phenyl)barbiturate

In the title mol­ecular salt [systematic name: triethyl­ammonium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate], C(6)H(16)N(+)·C(12)H(8)N(5)O(9) (−), the dihedral angle between the aromatic rings in the anion is 46.88 (8)°. The nitro group para to the ring j...

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Detalles Bibliográficos
Autores principales: Rajamani, Kulandaiya, Kalaivani, Doraisamyraja
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414319/
https://www.ncbi.nlm.nih.gov/pubmed/22904852
http://dx.doi.org/10.1107/S1600536812030450
Descripción
Sumario:In the title mol­ecular salt [systematic name: triethyl­ammonium 1,3-dimethyl-2,6-dioxo-5-(2,4,6-trinitro­phen­yl)-1,2,3,6-tetra­hydro­pyrimidin-4-olate], C(6)H(16)N(+)·C(12)H(8)N(5)O(9) (−), the dihedral angle between the aromatic rings in the anion is 46.88 (8)°. The nitro group para to the ring junction is almost coplanar with its attached ring [dihedral angle = 0.76 (3)°], but the two ortho-nitro groups are substanti­ally twisted from the ring plane, by 47.91 (2) and 42.90 (1)°. In the crystal, the cation and anion are linked by an N—H⋯O=C hydrogen bond; these dimeric associations are further connected by weak C—H⋯O bonds to form linear supra­molecular chains extending in the [001] direction.