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

ABSTRACT: The new heterometallic complex, aqua-1?O-bis-(?2-2-imino-methyl-6-meth-oxy-phenolato-1?2 O 1,O 6:2?2 O 1,N)bis-(thio-cyanato-1?N)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(?-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.

SUBMITTER: Plyuta N 

PROVIDER: S-EPMC7057356 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature