Title of article :
Crystal structure of {N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylidene]-2,2-dimethylpropane-1,3-diamine}bis(thiocyanato-κN)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 , Shova, Sergiu Department of Inorganic Polymers - "Petru Poni" Institute of Macromolecular - Chemistry, Romanian Academy of Science, Romania , Soliev, Lutfullo Department of General and Inorganic Chemistry - Faculty of Chemistry, Tajikistan
Abstract :
The unit cell of the title compound, [FeII(NCS)2(C25H28N8)], consists of two charge-neutral complex molecules related by an inversion centre. In the complex molecule, the tetradentate ligand N1,N3-bis[(1-benzyl-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 moieties and aldimine groups. Two thiocyanate anions, coordinating through their N atoms, complete the coordination sphere of the central ion. In the crystal, neighbouring molecules are linked through weak C—H⋯π, C—H⋯S and C—H⋯N interactions into a two-dimensional network extending parallel to (011). 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 (35.2%), H⋯C/C⋯H (26.4%), H⋯S/S⋯H (19.3%) and H⋯N/N⋯H (13.9%).
Keywords :
iron(II) complex , thiocyanate complex , crystal structure , trigonal distortion , high spin state
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
