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

Abstract

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], C6H16N+·C12H8N5O9−, 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.