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

The unit cell of the title compound, [Fe(II)(NCS)(2)(C(25)H(28)N(8))], consists of two charge-neutral complex mol­ecules related by an inversion centre. In the complex mol­ecule, the tetra­dentate ligand N (1),N (3)-bis­[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl­ene]-2,2-di­methyl­propane-1,3-di­amine...

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Detalles Bibliográficos
Autores principales: Znovjyak, Kateryna, Seredyuk, Maksym, Malinkin, Sergey O., Shova, Sergiu, Soliev, Lutfullo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7534255/
https://www.ncbi.nlm.nih.gov/pubmed/33117585
http://dx.doi.org/10.1107/S2056989020012608
Descripción
Sumario:The unit cell of the title compound, [Fe(II)(NCS)(2)(C(25)H(28)N(8))], consists of two charge-neutral complex mol­ecules related by an inversion centre. In the complex mol­ecule, the tetra­dentate ligand N (1),N (3)-bis­[(1-benzyl-1H-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 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%).