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Racemic cis-bis­[bis­(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN (1))iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis

The title compound, [Fe(C(2)N(3))(2)(C(8)H(7)N(5))(2)]·2H(2)O, has been synthesized solvothermally and characterized by single-crystal X-ray diffraction. The octa­hedral iron coordination polyhedron contains two di(pyrimidin-2-yl)amine ligands coordinated in a bidentate fashion, and two monodentate...

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Detalles Bibliográficos
Autores principales: Saadallah, Yaakoub, Setifi, Zouaoui, Jelsch, Christian, Setifi, Fatima, Al-Douh, Mohammed Hadi, Satour, Achouak, Glidewell, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561211/
https://www.ncbi.nlm.nih.gov/pubmed/37817951
http://dx.doi.org/10.1107/S2056989023008186
Descripción
Sumario:The title compound, [Fe(C(2)N(3))(2)(C(8)H(7)N(5))(2)]·2H(2)O, has been synthesized solvothermally and characterized by single-crystal X-ray diffraction. The octa­hedral iron coordination polyhedron contains two di(pyrimidin-2-yl)amine ligands coordinated in a bidentate fashion, and two monodentate dicyanimido ligands, each coordinated via a terminal N atom, with the latter in a cis orientation. The ligand configuration about the iron atom is chiral, although the compound crystallizes as a racemic mixture: the Fe—N distances (> 2.07 Å) are characteristic of high-spin iron(II). In the crystal, an extensive series of N—H⋯N, O—H⋯N and O—H⋯O hydrogen bonds links the independent mol­ecular components into a three-dimensional framework. The H atoms of both water mol­ecules are disordered. The structure also features some π–π and anion–π inter­actions. The inter­molecular inter­actions were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots. Comparisons are made with some related compounds.