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)

• Main Authors: Kateryna Znovjyak, Maksym Seredyuk, Sergey O. Malinkin, Sergiu Shova, Lutfullo Soliev
• Format: Article
• Language: English
• Published: International Union of Crystallography 2020-10-01
• Series: Acta Crystallographica Section E: Crystallographic Communications
• Subjects: iron(ii) complex; thiocyanate complex; high spin state; trigonal distortion; crystal structure
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S2056989020012608
• ISSN: 2056-9890

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%).