Crystal structure of Μ2, η2, Σ2-nitrato-η2, Σ2-nitrato-bis(1-ethyltetrazole-N4)copper(II) Cu(C3H6N4)2(NO3)2 = [Cu(C3H6N4)2(NO3)(NO3)2/2

Abstract

The complex compound of copper(II) nitrate with 1ethyltetrazole (ettz), Cu( C3H6N4)2(NO3)(NO3)2/2] is studied by Xray diffraction analysis (“Syntex P21” automatic diffractometer, CuKa radiation, graphite monochromator, 6/26 scan mode with Vmin = 3.91 deg/min, the total number of data collected 3544 lhkb including 3141 nonextinct lhkl > 0, a correction for absorption (Μ = 25.08 cm-1) applied by integrating over the crystal faces). The parameters of the orthorhombic unit cell (space group Pccn) are a = 15.436(3), b = 20.198(5), c = 19.587(3) A, Vcell = 6107(2) A3, Z = 16, dcalc = 1.670 g/cm3. The two crystallographically independent copper atoms have a distorted octahedral environment (coordination node is CuN2O4), coordination number (CN) is 6 = 4 + t2. In the equatorial plane, two nitrogen atoms of ettz and two oxygen atoms of NO 3 − groups are trans to each other; Cu-N = 1.983(8), C-ONO 3 − = 1.978(7) A (average). The nitrato groups fulfill chelate and bridging functions, complementing the coordination polyhedra of the copper atoms to distorted octahedra, where Cu-ONO 3 − = 2.517(7) A (average). The compound has a chain structure; the chains stretching along [001] are packed pairwise according to the hexagonal law.