(N,N-Diethylnicotinamide-κN 1)bis[4,4,4-trifluoro-1-(thien-2-yl)butane-1,3-dionato-κ2 O,O′]copper(II)

In the title compound, [Cu(C8H4F3O2S)2(C10H14N2O)], the CuII atom exists in a distorted CuNO4 square-pyramidal geometry; the metal atom lies above a square plane defined by four O atoms of the two chelating anionic ligands, displaced in the direction of the axial occupant, the pyridine N atom, by 0.179 (1) Å. Weak intermolecular C—H⋯O and C—H⋯F hydrogen bonding is present in the crystal structure. One thienyl ring is disordered over two orientations in an occupancy ratio of 0.69 (1):0.31.

In the title compound, [Cu(C 8 H 4 F 3 O 2 S) 2 (C 10 H 14 N 2 O)], the Cu II atom exists in a distorted CuNO 4 square-pyramidal geometry; the metal atom lies above a square plane defined by four O atoms of the two chelating anionic ligands, displaced in the direction of the axial occupant, the pyridine N atom, by 0.179 (1) Å . Weak intermolecular C-HÁ Á ÁO and C-HÁ Á ÁF hydrogen bonding is present in the crystal structure. One thienyl ring is disordered over two orientations in an occupancy ratio of 0.69 (1):0.31.
(N,N-Diethylnicotinamide-N 1 )bis [4,4,4-trifluoro-1-(thien-2-yl) et al., 1988;Wang et al., 1996;Xu et al., 2010). For most adducts, the Cu atom exists in a six-coordinate geometry, e.g., the pyridine adduct (Liu et al., 1986). The 4,4'-bipyridine adduct exists in two forms; in one form, the Cu atom is octahedrally coordinated (Gou et al., 1991). The other is a dinuclear adduct in which the Cu atom shows the squarepyramidal coordination. In the title N,N-diethylbenzamide adduct (Scheme I), the Cu atom is similarly five-coordinate. The metal atom lies above the square plane defined by the O atoms of the two chelating anionic ligands in the direction of the axial occupant by 0.179 (1) Å.

Refinement
Carbon-bound H-atoms were placed in calculated positions [C-H 0.93 to 0.97 Å; U(H) 1.2 to 1.5U(C)] and were included in the refinement in the riding model approximation.
One thienyl ring is disodered over two positions in a 69 (1): 31 ratio. The C-S distances were restrained to 1.70±0.01 Å and the C-C distances to 1.35±0.01 Å. The disordered rings were restrained to be nearly flat. The anisotropic temperature factors of S2 was set to those of C11', those of C9 to those of C10', those of C10 to that of C9' and those of C11 to those of S2'. The anisotropic temperature factors were restrained to be nearly isotropic.
The C-C distances of the ethyl chains were tightly restrained to 1.540±0.005 Å.
The anisotropic temperature factors of the fluorine atoms were also restrained to be nearly isotropic.