Copper(I) complexes with 5-(allylthio)-1H-tetrazoles: synthesis and crystal structure of [Cu2(C10H10N4S)2(H2O)2](BF4)2 and [Cu2(C10H9ClN4S)2(H2O)2](BF4)2×C2H5OH π-compounds (C10H10N4S and C10H9ClN4S - 5-(allylthio)-1-phenyl- and 5-(allylthio)-1-(4-chlorophenyl)-1H-tetrazole)

 

Chem. Met. Alloys 3 (2010) 201-207

 

Yuriy SLYVKA, Nazariy POKHODYLO, Roman SAVKA, Zoran MAZEJ, Evgeny GORESHNIK, Maryan MYS’KIV

 

By means of the alternating current electrochemical technique, [Cu2(atpt)2(H2O)2](BF4)2 (1) (atpt = 5-(allylthio)-1-phenyl-1H-tetrazole, C10H10N4S) and [Cu2(atcpt)2(H2O)2](BF4)2×C2H5OH (2) (atcpt = 5-(allylthio)-1-(4-chlorophenyl)-1H-tetrazole, C10H9ClN4S) π-complexes have been synthesized and X-ray studied by the single crystal method. Crystals of 1 are monoclinic, space group P21/n, a = 10.4353(7), b = 10.9125(7), c = 12.9389(9) Å, β = 99.064(2)°, V = 1455.02(17) Å3 at 200 K, Z = 2, R = 0.067 for 2881 reflections; compound 2 crystallizes in the triclinic space group , a = 10.925(2), b = 11.945(2), c = 15.168(3) Å, α = 75.89(1), β = 86.23(1), γ = 64.13(1)°, V = 1725.4(4) Å3 at 298 K, Z = 2, R = 0.066 for 2590 reflections. In these structures the metal atoms possess a trigonal pyramidal coordination environment involving N3 and N4 atoms from two adjacent organic ligands, an olefin C=C bond and a water molecule in apical position. Both the atpt and atcpt ligand molecules act as a tridentate N,N,(S-C3H5)-bridging ligand connecting two metal (M) atoms into centrosymmetric cationic [M2(L)2(H2O)2]2+ dimers with one six-membered {M2N4} cycle and two seven-membered {MNC4S} rings. Effective O-H...F bonds occur between the coordinated water molecules and the BF4 anion.

 

 

Fragment of [Cu2(C10H10N4S)2(H2O)2](BF4)2 crystal structure

 

Keywords

Tetrazole / Copper(I) / Electrochemical technique / π-Complex / Crystal structure