A new zinc(II) complex containing nitronyl nitroxide radicals: Synthesis, crystal structure, and magnetic properties

A new one-dimensional dicyanamide bridged zinc(II) complex containing nitronyl nitroxide radicals [Zn(Hfac)2(NIT-1′-MeBzIm)] (NIT-1′-MeBzIm = 2-{2′-[(l′-methyl)benzimidazolyl]}-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide, Hfac = hexafluoroacetylacetonate) has been prepared and structurally characterized by single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group P21/c, Z = 4. Crystal data: C25H21F12N4O6Zn, Mr = 766.83, a = 12.1812(13) Å, b = 16.8770(18) Å, c = 15.5230(16) Å, β = 98.009(2)°, V = 3160.1(6) Å3, ρ c = 1.612 g/cm3, μ(MoK α) = 0.893 mm−1, F(000) = 1540, R = 0.0925 and wR = 0.2652 for 5875 observed reflections with I > 2σ(I). The X-ray analysis reveals that the zinc(II) ion is six-coordinated with a distorted octahedral geometry. These units develop as 1D species by intermolecular hydrogen bonds. Magnetic investigation indicates the existence of weak intermolecular interactions is antiferromagnetic with J = −1.35 cm−1, where the spin Hamitonian is defined as H = −2Σ i,j J i,j S i S within the complex.