Syntheses and characterization of new copper complexes with the heterocyclic thione, AMTTO. X-ray structures of [Cu(AMTTO)Cl-2], [Cu(AMTTO)(2)]Cl, and [Cu(AMTTO)(PPh3)(2)Cl] (AMTTO=4-amino-6-methyl-1,2,4-triazine-3-thione-5-one)

摘要

The complexes [Cu(AMTTO)Cl-2] (2), [Cu(AMTTO)(2)]Cl (3), and [Cu(AMTTO)(PPh3)(2)Cl] (4) have been prepared and characterized by IR spectroscopy and elemental analyses. Also single-crystal X-ray diffraction studies on compound 2, 3 and 4 revealed that AMTTO acts in 2 as a bidentate ligand via nitrogen and sulfur atoms, in 3 and 4 as a monodentate via sulfur atoms. Complex 3 was already mentioned in literature, but the structure was not described in detail. The molecules in 2 form infinite chains through additional weak Cu-S interactions along [010] indicating the Jahn-Teller distortion of the d(9) ion Cu2+. The infinite chains are connected by hydrogen bonding along [100]. Crystal data for 2 at -80degreesC: monoclinic, space group P2(1)/m, a = 666.7(1), b = 609.4(1), c = 1132.6(2) pm, b = 95.46(2)degrees, Z = 2, R-1 = 0.0365; for 3 at -80degreesC: orthorhombic, space group Pbcn, a = 1291.2(2), b = 1146.5(1), c = 1000.5(1) pm, Z = 4, R-1 = 0.0315; for 4 at -80degreesC: monoclinic, space group, P2(1), a = 879.4(1), b = 1849.3(2), c = 2293.8(3) pm, beta = 92.38(1)degrees, Z = 4, R, = 0.0688. [References: 48]