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Crystal structure of (N (1),N (3)-bis{[1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl]methylidene}-2,2-dimethylpropane-1,3-diamine)bis(thiocyanato)iron(II)
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)-1H-1,2,3-triazol-4-yl]methylene}-2,2-dimethylpropane-1,3-diamine coordinates...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100278/ https://www.ncbi.nlm.nih.gov/pubmed/34026252 http://dx.doi.org/10.1107/S2056989021003662 |
Sumario: | 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)-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 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. |
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