Abstract
The unit cell of the title compound, [FeII(NCS)2(C29H32N8O2)], consists of eight charge-neutral complex mol-ecules. In the complex mol-ecule, the tetra-dentate ligand N 1,N 3-bis-{[1-(4-meth-oxy-benz-yl)-1H-1,2,3-triazol-4-yl]methyl-ene}-2,2-di-methyl-propane-1,3-di-amine coordinates to the FeII ion through the N atoms of the 1,2,3-triazole and aldimine groups. Two thio-cyanate anions, coordinated through their N atoms, complete the coordination sphere of the central Fe ion. In the crystal, neighbouring mol-ecules are linked through weak C⋯C, C⋯N and C⋯S inter-actions into a one-dimensional chain running parallel to [010]. The inter-molecular contacts were qu-anti-fied 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.
Highlights
FeII complexes based on Schiff bases derived from N-substituted 1,2,3-triazole aldehydes represent an interesting class of coordination compounds exhibiting spin-state switching between low- and high-spin states in different temperature regions (Hagiwara et al, 2014, 2016, 2020; Hora & Hagiwara, 2017)
2011, 2015, 2016; Seredyuk, 2012; Valverde-Munoz et al, 2020), we report here the synthesis and crystal structure of a new FeII complex based on the tetradentate ligand N1,N3bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylene}2,2-dimethylpropane-1,3-diamine with thiocyanate anions arranged around the iron(II) atom in a cis-configuration
The FeII ion of the title complex has a distorted trigonal– prismatic N6 coordination environment formed by the four N atoms of the tetradentate Schiff-base ligand and the two NCSÀ counter-ions (Fig. 1)
Summary
FeII complexes based on Schiff bases derived from N-substituted 1,2,3-triazole aldehydes represent an interesting class of coordination compounds exhibiting spin-state switching between low- and high-spin states in different temperature regions (Hagiwara et al, 2014, 2016, 2020; Hora & Hagiwara, 2017). In all of the charge-neutral mononuclear complexes of this kind described so far, the thiocyanate anions occupy the axial position in the coordination sphere and are in a trans-configuration (Hagiwara & Okada, 2016; Hagiwara et al, 2017). Having ongoing interest in functional 3d-metal complexes formed by polydentate ligands 2011, 2015, 2016; Seredyuk, 2012; Valverde-Munoz et al, 2020), we report here the synthesis and crystal structure of a new FeII complex based on the tetradentate ligand N1,N3bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylene}2,2-dimethylpropane-1,3-diamine with thiocyanate anions arranged around the iron(II) atom in a cis-configuration
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