Crystal structure of copper(I) bromide complexes with n-bytylthiomorpholinium cation

Using an alternating current electrochemical technique based on ethanolic solutions of CuBr 2 and N-allybutylderivatives of morpholine, the [C 4 H 9 NO(C 4 H 9 )Cu 5 Br 7 ] ( І ) compound was obtained in a single crystal form and characterized by X-ray single crystal method: space group Pbca , Z = 8, a = 12,6839(1), b = 21,3789(1), c = 22,1013(1) Å, V = 5993,16(6) Å 3 , r calc. = 2,584 g/cm 3 , m(CuK a ) = 15,00 mm −1 , 120566 measured, 6267 used reflections, R ( F 2 ) = 0,031, S = 1,04. Copper (I) atoms lie in a deformed tetrahedral or trigonal-pyramidal coordination environment from bromide ions in the compound crystal structure. The oxygen atom of the N-butylmorpholinium cation does not participate in coordination with metal atoms due to steric hindrances from Br. The relatively large size of bromine atoms promotes their polydentate function and contributes to forming a unique polyanionic topological units of the composition {Cu 5 Br 7 } n 2 n – . An essential role in the construction of the crystal lattice of the compound played by hydrogen contacts of the C(N)–H...Br and C–H...Br types that complement electrostatic forces and connected cation and cuprobomine chains into 3-D skeleton. Keywords : coordination compounds, crystal structure, N‑butylmorpholinium, copper(І), σ-complexes.