Abstract
The unit cell of the title compound, [FeII(NCS)2(C25H28N8)], consists of two charge-neutral complex mol-ecules related by an inversion centre. In the complex mol-ecule, the tetra-dentate ligand N 1,N 3-bis-[(1-benzyl-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 moieties and aldimine groups. Two thio-cyanate anions, coordinating through their N atoms, complete the coordination sphere of the central ion. In the crystal, neighbouring mol-ecules are linked through weak C-H⋯π, C-H⋯S and C-H⋯N inter-actions into a two-dimensional network extending parallel to (011). 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 (35.2%), H⋯C/C⋯H (26.4%), H⋯S/S⋯H (19.3%) and H⋯N/N⋯H (13.9%).
Highlights
Coordination complexes of 3d transition metals represent a large class of potentially applicable materials exhibiting catalytic (Strotmeyer et al, 2003), magnetic (Pavlishchuk et al, 2010) and spin-switching functionalities (Gutlich & Goodwin, 2004) with detectable and exploitable variations of physical properties (Gural’skiy et al, 2012; Suleimanov et al, 2015)
Iron(II) complexes based on Schiff bases derived from Nsubstituted 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)
Having ongoing interest in functional 3d metal complexes formed by polydentate ligands (Seredyuk et al, 2006, 2007, 2011, 2015, 2016; Seredyuk, 2012; Valverde-Munoz et al, 2020), we report here the synthesis and crystal structure of a new high-spin FeII complex based on the tetradentate ligand N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylene]-2,2-dimethylpropane-1,3-diamine with thiocyanate anions arranged in a cis-configuration
Summary
Coordination complexes of 3d transition metals represent a large class of potentially applicable materials exhibiting catalytic (Strotmeyer et al, 2003), magnetic (Pavlishchuk et al, 2010) and spin-switching functionalities (Gutlich & Goodwin, 2004) with detectable and exploitable variations of physical properties (Gural’skiy et al, 2012; Suleimanov et al, 2015). Iron(II) complexes based on Schiff bases derived from Nsubstituted 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). Having ongoing interest in functional 3d metal complexes formed by polydentate ligands (Seredyuk et al, 2006, 2007, 2011, 2015, 2016; Seredyuk, 2012; Valverde-Munoz et al, 2020), we report here the synthesis and crystal structure of a new high-spin FeII complex based on the tetradentate ligand N1,N3-bis[(1-benzyl-1H-1,2,3-triazol-4-yl)methylene]-2,2-dimethylpropane-1,3-diamine with thiocyanate anions arranged in a cis-configuration. Symmetry codes: (i) Àx; Ày; Àz þ 1; (ii) Àx þ 1; Ày; Àz þ 1; (iii) Àx þ 1; Ày þ 1; Àz
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