[μ-2,8-Dimethyl-1,4,5,6,7,10,11,12-octahydrodiimidazo[4,5-h;4′,5′-c][1,6]diazecine-5,11-diacetato]bis[diaquanitratocopper(II)] trihydrate

Abstract

The title compound, [Cu2(C16H20N6O4)(NO3)2(H2O)4]·3H2O, crystallizes with two dinuclear CuII complex molecules, each lying on an inversion center, and six solvent water molecules per unit cell. The central 1,6-diazecine ring adopts the common chair conformation invariably found in the family of complexes bearing such ligands. The CuII atoms have an octahedral geometry, with a very strong tetragonal distortion due to the Jahn–Teller effect. Axial sites are occupied by a nitrate ion and a water molecule. The Cu...Cu separations [7.3580 (9) and 7.3341 (9) Å] are compatible with a potential catecholase activity. Neighboring molecules in the crystal structure are connected via O—H...O hydrogen bonds formed by water molecules and carboxylate O atoms. N—H...O hydrogen bonds are also present.