Acta Cryst. (2008). E64, m1135-m1136  [ doi:10.1107/S1600536808023969 ]

[-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

K. S. Luna-Ramírez, S. Bernès and L. Gasque

Abstract: The title compound, [Cu₂(C₁₆H₂₀N₆O₄)(NO₃)₂(H₂O)₄]·3H₂O, crystallizes with two dinuclear Cu^II 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 Cu^II 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 CuCu 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-HO hydrogen bonds formed by water molecules and carboxylate O atoms. N-HO hydrogen bonds are also present.

Online 6 August 2008

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