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Racemic cis-bis-[bis-(pyrimidin-2-yl)amine-κN]bis(dicyanamido-κN1)iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis.

ABSTRACT: The title compound, [Fe(C2N3)2(C8H7N5)2]·2H2O, has been synthesized solvothermally and characterized by single-crystal X-ray diffraction. The octa-hedral 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 mol-ecular components into a three-dimensional framework. The H atoms of both water mol-ecules are disordered. The structure also features some π-π and anion-π inter-actions. The inter-molecular inter-actions were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots. Comparisons are made with some related compounds.

SUBMITTER: Saadallah Y 

PROVIDER: S-EPMC10561211 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature

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Racemic <i>cis</i>-bis-[bis-(pyrimidin-2-yl)amine-κ<i>N</i>]bis(dicyanamido-κ<i>N</i><sup>1</sup>)iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis.

Saadallah Yaakoub Y   Setifi Zouaoui Z   Jelsch Christian C   Setifi Fatima F   Al-Douh Mohammed Hadi MH   Satour Achouak A   Glidewell Christopher C  

Acta crystallographica. Section E, Crystallographic communications 20230926 Pt 10

The title compound, [Fe(C<sub>2</sub>N<sub>3</sub>)<sub>2</sub>(C<sub>8</sub>H<sub>7</sub>N<sub>5</sub>)<sub>2</sub>]·2H<sub>2</sub>O, has been synthesized solvothermally and characterized by single-crystal X-ray diffraction. The octa-hedral iron coordination polyhedron contains two di(pyrimidin-2-yl)amine ligands coordinated in a bidentate fashion, and two monodentate dicyanimido ligands, each coordinated <i>via</i> a terminal N atom, with the latter in a <i>cis</i> orientation. The ligand conf  ...[more]

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