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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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 |
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. |
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