Ea. Goreshnik et al., Copper(I) pi-complex with 1,3-diallylbenzotriazolium [C6H4N3(C3H5)(2)]Cu2Br3: Synthesis and crystal structure, RUSS J C CH, 25(9), 1999, pp. 653-657
Crystals of the [C6H4N3(C3H5)(2)]Cu2Br3 pi-complex are obtained from CuBr2
and alcohol solution of 1,3-diallylbenzotriazolium bromide by ac electroche
mical synthesis and X-ray structurally characterized (a CAD-4 single-crysta
l autodiffractometer, CuKalpha radiation, 2816 independent reflections with
\F\ greater than or equal to 4 sigma \F\, 2 theta(max) = 150 degrees, R =
0.0681). The compound crystallizes in the triclinic system, space group P (
1) over bar, a = 7.2986(5), b = 8.6900(5), c = 12.743(1) Angstrom, alpha =
94.336(7)degrees, beta = 91.753(8)degrees gamma = 96. 499(6)degrees, rho(ca
lcd) = 2.3537(6) g/cm(3), Z = 2 for [C6H4N3(C3H5)(2)]Cu2Br3. In the structu
re, the separate Cu2Br2 dimers are bridged by the bromine atom to form infi
nite chains (Cu2Br3)(n) oriented along the [001] direction. The ligand is c
oordinated to two metal atoms of different inorganic chains through the C=C
bonds of both allyl groups, while the nitrogen atoms are not involved in t
he coordination. The environment of each of the two crystallographically in
dependent copper atoms comprises three bromine atoms and the C=C group. One
of the metal-coordinated C=C bonds is disordered.