Crystal structure of the dichlorobis(1-allyltetrazole-N⁴)copper(II) complex [Cu(1-CH₂=CHCH₂−N₄CH)₂Cl_4/2]_∞∞

Abstract

The crystal structure of the dichlorobis(1-allyltetrazole-N⁴)copper(II) complex was determined by X-ray diffraction analysis. The crystals are monoclinic, a=14.233(3), b=6.755(1), c=7.273(1) Å, β=104.63(3)°, V_cell=676.6(2), ų, space group P2₁/c, Z=4, d_calc=1.741g/cm³, d_msd=1.69 g/cm³, CAD-4, λMoK_α radiation, R_F=0.0377 for 520 F_hkl>4σ(F_hkl) and 0.0560 for all 872 independent reflections. The structure is layered; the coordination polyhedron of copper is a square bipyramid, in which the equatorial positions are occupied by two chlorine atoms (Cu−Cl 2.27(2)–2.31(2) Å) and two N⁴ atoms of planar tetrazole ligands, whereas the axial positions are occupied by two chlorine atoms of the neighboring molecules of the complex (Cu−Cl 2.97(2)–3.01(2) Å). The sublattice of chlorine atoms is disordered in such a way that the [CuCl_4/2]_∞∞ layer is a superposition of two variants with weights 61(3) and 39(3)% and with similar geometrical characteristics: the equatorial chlorine atoms in variant A are replaced by the axial atoms in variant B and vice versa. The tetrazole ligand has the same position in both variants. In general, the crystal is a polytype with random alternation of A and B type blocks. It is shown that the compound is isostructural to the complex with 1-ethyltetrazole [Cu(ettz)₂Cl₂], in which only variant B is realized.