Title of article :
Crystal structure of (N1,N3-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(II)
Author/Authors :
Znovjyak, Kateryna Department of Chemistry - Taras Shevchenko National University of Kyiv, Ukraine , Seredyuk, Maksym Department of Chemistry - Taras Shevchenko National University of Kyiv, Ukraine , Malinkin, Sergey O. Department of Chemistry - Taras Shevchenko National University of Kyiv, Ukraine , Golenya, Iryna A. Department of Chemistry - Taras Shevchenko National University of Kyiv, Ukraine , Sliva, Tatiana Y. Department of Chemistry - Taras Shevchenko National University of Kyiv, Ukraine , Shova, Sergiu Department of Inorganic Polymers - "Petru Poni" Institute of Macromolecular - Chemistry, Romanian Academy of Science, Romania
Abstract :
The unit cell of the title compound, [FeII(NCS)2(C29H32N8O2)], consists of eight charge-neutral complex molecules. In the complex molecule, the tetradentate ligand N1,N3-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylene}-2,2-dimethylpropane-1,3-diamine coordinates to the FeII ion through the N atoms of the 1,2,3-triazole and aldimine groups. Two thiocyanate anions, coordinated through their N atoms, complete the coordination sphere of the central Fe ion. In the crystal, neighbouring molecules are linked through weak C⋯C, C⋯N and C⋯S interactions into a one-dimensional chain running parallel to [010]. The intermolecular contacts were quantified using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H⋯H (37.5%), H⋯C/C⋯H (24.7%), H⋯S/S⋯H (15.7%) and H⋯N/N⋯H (11.7%). The average Fe—N bond distance is 2.167 Å, indicating the high-spin state of the FeII ion, which does not change upon cooling, as demonstrated by low-temperature magnetic susceptibility measurements.
Keywords :
iron(II) complex , thiocyanate complex , high-spin state , trigonal distortion , magnetism , crystal structure
Journal title :
Acta Crystallographica Section E: Crystallographic Communications