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

Acta Crystallographica. Section E, Crystallographic Communications
Nataliya PlyutaSvitlana Petrusenko

Abstract

The new heterometallic complex, aqua-1κO-bis-(μ2-2-imino-methyl-6-meth-oxy-phenolato-1κ2O1,O6:2κ2O1,N)bis-(thio-cyanato-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 thio-cyanate 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 mol-ecule 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 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.

References

Feb 20, 2007·Dalton Transactions : an International Journal of Inorganic Chemistry·Lei YangRobert P Houser
Dec 30, 2014·Acta Crystallographica. Section A, Foundations and Advances·George M Sheldrick
Jan 9, 2015·Acta Crystallographica. Section C, Structural Chemistry·George M Sheldrick
Apr 7, 2016·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Colin R GroomSuzanna C Ward
Jun 14, 2016·Journal of the American Chemical Society·Marta MonEmilio Pardo

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