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

Acta Crystallographica Section E: Crystallographic Communications

Nataliya Plyuta¹  Olga Yu. Vassilyeva¹  Vladimir N. Kokozay¹  Svitlana Petrusenko¹  Iryna Omelchenko² 

[1] Department of Inorganic Chemistry, Taras Shevchenko National University of Kyiv, Volodymyrska str. 64/13, 01601 Kyiv, Ukraine;Institute for Single Crystals, National Academy of Sciences of Ukraine, Nauky ave. 60, Kharkiv 61001, Ukraine;

关键词: crystal structure;    schiff base ligand;    copper;    calcium;    heterometallic;    hydrogen bond;   

DOI  :  10.1107/S205698902000211X

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown