Syntheses and Crystal Structures of Zinc(II) and Copper(II) Complexes Involving Nitroxide Radicals

Abstract

Two novel complexes [Zn(hfac)₂ (NIT-1’-MeBzIm) ] 1 and [Cu(hfac)₂(NIT-1’-MeBzIm)] 2 (hfac = hexafluoroacetylacetonate; NIT-1’-MeBzIm = 2-{2’-[(l’-methyl)benzimidazolyl]}-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) have been prepared and structurally characterized by X-ray diffraction methods. Both complexes crystallize in orthorhombic. Crystal data for 1: C₂₅H₂₁F₁₂N₄O₆Zn, Mr = 766.83, space group P2(1)/c, a = 12.1812(13), b = 16.8770(18), c = 15.5230(16) Å, β = 98.009(2)°, V = 3160.1(6) ų, Dc = 1.612 g/cm³, μ(MoKα) = 0.893 mm⁻¹, F(000) = 1540, R = 0.0925, and wR = 0.2652 for 2804 observed reflections with I > 2σ(I).Crystal data for 2: C₂₅H₂₁F₁₂N₄O₆Cu, Mr = 765.00, space group P2(1)/n, a = 17.709(4), b = 9.325(2), c = 19.414(4) Å, V = 3086.5(12) ų, Dc = 1.646 g/cm³, μ (MoKα) = 0.826 mm⁻¹, F(000) = 1536, R = 0.0753, and wR = 0.1992 for 3435 observed reflections with I > 2σ(I). Both Zinc(II) ion and Copper(II) ion are six-coordinated with a geometry of distorted octahedral.

Keywords:

• crystal structure
• Cu(II) complex
• nitronyl nitroxide radical
• Zn(II) complex