Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)


metal-organic compounds



is5261 scheme

Acta Cryst. (2013). E69, m314-m315    [ doi:10.1107/S1600536813012178 ]

[Diaquasesqui(nitrato-[kappa]O)hemi(perchlorato-[kappa]O)copper(II)]-[mu]-{bis[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide}-[triaqua(perchlorato-[kappa]O)copper(II)] nitrate monohydrate

M. Seredyuk, V. A. Pavlenko, K. O. Znovjyak, E. Gumienna-Kontecka and T. S. Iskenderov

Abstract: In the binuclear title complex, [Cu2(ClO4)1.5(NO3)1.5(C18H16N6Se)(H2O)5]NO3·H2O, both CuII ions are hexacoordinated by O and N atoms, thus forming axially elongated CuO4N2 octahedra. The equatorial plane of each octahedron is formed by one chelating pyrazole-pyridine fragment of the organic ligand and two water molecules. The axial positions in one octahedron are occupied by a water molecule and a monodentately coordinated perchlorate anion, while those in the other are occupied by a nitrate anion and a disordered perchlorate/nitrate anion with equal site occupancy. The pyrazole-pyridine units of the organic selenide are trans-oriented to each other with a C-Se-C angle of 96.01 (14)°. In the crystal, uncoordinated nitrate anions and the coordinating water molecules are involved in O-H...O and N-H...O hydrogen bonds, forming a bridge between the pyrazole group and the coordinating water molecules. Further O-H...O hydrogen bonds between the complex molecules and a [pi]-[pi] stacking interaction with a centroid-centroid distance of 3.834 (4) Å are also observed.


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