Av. Virovets et al., CRYSTAL-STRUCTURE OF THE DICHLOROBIS (1-ALLYLTETRAZOLE-N-4) COPPER(II) COMPLEX [CU(1-CH2=CHCH2-N4CH)(2)CL-4 2](INFINITY-INFINITY)/, Journal of structural chemistry, 37(2), 1996, pp. 288-294
The crystal structure of the dichlorobis(1-allyltetrazole-N-4)copper(I
I) complex was determined by X-ray diffraction analysis. The crystals
are monoclinic, a=14.233(3), b=6.755(1), c=7.273(1) Angstrom beta = 10
4.63(3)degrees, V-cell = 676.6(2) Angstrom(3), space group P2(1)/c, Z
= 4, d(calc) = 1.741 g/cm(3), d(msd) 1.69 g/cm(3) CAD-4, lambda MoKalp
ha radiation, R(F) = 0.0377 for 520 F-hkl > 4 sigma(F-hkl) and 0.0560
for all 872 independent reflections. The structure is layered; the coo
rdination polyhedron of copper is a square bipyramid, in which the equ
atorial positions are occupied by two chlorine atoms (Cu-Cl 227(2)-2.3
1(2) Angstrom) and two N-4 atoms of planar tetrazole ligands, whereas
the axial positions are occupied by two chlorine atoms of the neighbor
ing molecules of the complex (Cu-CI 2.97(2)-3.01(2) Angstrom). The sub
lattice of chlorine atoms is disordered in such a way that the [CuCl4/
2](infinity infinity) layer is a superposition of two variants with we
ights 61(3) and 39(3)% and with similar geometrical characteristics: t
he equatorial chlorine atoms in variant A are replaced by the axial at
oms in variant B and vice versa. The tetrazole ligand has the same pos
ition in both variants. In general, the crystal is a polytype with ran
dom alternation of A and B type blocks. It is shown that the compound
is isostructural to the complex with 1-ethyltetrazole, [Cu(ettz)(2)Cl-
2], in which only variant B is realized.