A binuclear CuII/CaII thiocyanate complex with a Schiff base ligand derived from o-vanillin and ammonia.

The new heterometallic complex, aqua-1κO-bis(μ₂-2-iminomethyl-6-methoxyphenolato-1κ²O¹,O⁶:2κ²O¹,N)bis(thiocyanato-1κN)calcium(II)copper(II), [CaCu(C₈H₈NO₂)₂(NCS)₂(H₂O)], has been synthesized using a one-pot reaction of copper powder, calcium oxide, o-vanillin and ammonium thiocyanate in methanol under ambient conditions. The Schiff base ligand (C₈H₉NO₂) is generated in situ from the condensation of o-vanillin and ammonia, which is released from the initial NH₄SCN. The title compound consists of a discrete binuclear molecule with a {Cu(μ-O)₂Ca} core, in which the Cu···Ca distance is 3.4275-(6)-Å. The coordination geometries of the four-coordinate copper atom in the [CuN₂O₂] chromophore and the seven-coordinate calcium atom in the [CaO₅N₂] chromophore can be described as distorted square planar and pentagonal bipyramidal, respectively. In the crystal, O-H···S hydrogen bonds between the coordinating water molecules and thiocyanate groups form a supramolecular chain with a zigzag-shaped calcium skeleton. [ABSTRACT FROM AUTHOR]