Crystal structure of ( N 1 , N 3 -bis{[1-(4-methoxybenzyl)-1 H -1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(II)

• Published in: Acta crystallographica. Section E, Crystallographic communications Vol. 77; no. 5; pp. 495 - 499
• Main Authors: Znovjyak, Kateryna, Seredyuk, Maksym, Malinkin, Sergey O., Golenya, Iryna A., Sliva, Tatiana Y., Shova, Sergiu, Mulloev, Nurullo U.
• Format: Journal Article
• Language: English
• Published: 01.05.2021
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989021003662

The unit cell of the title compound, [Fe II (NCS) 2 (C 29 H 32 N 8 O 2 )], consists of eight charge-neutral complex molecules. In the complex molecule, the tetradentate ligand N 1 , N 3 -bis{[1-(4-methoxybenzyl)-1 H -1,2,3-triazol-4-yl]methylene}-2,2-dimethylpropane-1,3-diamine coordinates to the Fe II 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 Fe II ion, which does not change upon cooling, as demonstrated by low-temperature magnetic susceptibility measurements.