Crystal and molecular structure of bis-(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)bis-(NN-dimethylethylenediamine)copper(II)

Abstract

The crystal and molecular structure of the title compound has been elucidated by three-dimensional X-ray diffraction methods. The crystals are triclinic with Z= 1 in a cell of dimensions a= 8·174(3), b= 8·495(4), c= 11·910(4)Å, α= 120·32(2), β= 109·03(2), and γ= 94·65(3)°. The atomic parameters were obtained by Fourier methods and refined by full-matrix least-squares to a conventional R of 0·052 for 2777 independent reflections obtained from counter measurements. The molecule has crystallographically required C_i symmetry. The copper atom is chelated by two NN-dimethylethylenediamine ligands in the gauche conformation with the Cu–NMe₂ distance [2·064(3)Å] significantly greater than the Cu–NH₂ distance [1·989(3)Å]. One oxygen atom from each of the two hexafluoroacetylacetonate ligands interacts with the copper to form long bonds [Cu–O 2·793(2)Å] in the axial positions. The remaining oxygen atoms of the hexafluoroacetylacetonate ligands are intramolecularly hydrogen-bonded to the N(NH₂) atoms of the chelating NN-dimethylethylenediamine moieties [O ⋯ N 2·995(3)Å].