A binuclear Cu(II)/Ca(II) thio-cyanate complex with a Schiff base ligand derived from o-vanillin and ammonia.

The new heterometallic complex, aqua-1κO-bis-(μ(2)-2-imino-methyl-6-meth-oxy-phenolato-1κ(2) O (1),O (6):2κ(2) O (1),N)bis-(thio-cyanato-1κN)calcium(II)copper(II), [CaCu(C(8)H(8)NO(2))(2)(NCS)(2)(H(2)O)], has been synthesized using a one-pot reaction of copper powder, calcium oxide, o-vanillin and ammonium thio-cyanate in methanol under ambient conditions. The Schiff base ligand (C(8)H(9)NO(2)) is generated in situ from the condensation of o-vanillin and ammonia, which is released from the initial NH(4)SCN. The title compound consists of a discrete binuclear mol-ecule with a {Cu(μ-O)(2)Ca} core, in which the Cu⋯Ca distance is 3.4275†(6)†à . The coordination geometries of the four-coordinate copper atom in the [CuN(2)O(2)] chromophore and the seven-coordinate calcium atom in the [CaO(5)N(2)] chromophore can be described as distorted square planar and penta-gonal bipyramidal, respectively. In the crystal, O-H⋯S hydrogen bonds between the coordinating water mol-ecules and thio-cyanate groups form a supra-molecular chain with a zigzag-shaped calcium skeleton.