Synthesis and Structure of a Dinuclear Copper(Ⅱ)-ditetrazolate Involving in situ Ligand Synthesis

The hydrothermal reaction of 1,2-dicyanobenzene with NaN3 in the presence of CuCl2, 2,2'-bipyridine and H2O affords a novel dinuclear copper(Ⅱ)-ditetrazolate, [Cu(bpy)-(pdtz)]2 (Hpdtz = 5,5'-l,2-phenylene-ditetrazole, bpy = 2,2'-bipyridine). The pdtz ligand is generated in situ through Sharpless 2+3 cycloaddition reaction. Its crystal structure was determined by single-crystal X-ray diffraction method. The crystal crystallizes in the monoclinic system, space group P21/n with a = 8.2096(16), b = 18.580(4), c = 11.838(2)(A),β = 103.12(3)°, V= 1758.5(6)(A)3, Z= 2, Mr= 863.83, Dc = 1.631 g/cm3, F(000) = 876 and μ= 1.272 mm-1. In this novel dinuclear structure, the pdtz ligand adopts a peculiar μ2-η1,η2 coordination mode.