Racemic cis-bis[bis(pyrimidin-2-yl)amine-jN]bis-(dicyanamido-jN1)iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis.

Autor: Saadallah, Yaakoub, Setifi, Zouaoui, Jelsch, Christian, Setifi, Fatima, Al-Douh, Mohammed Hadi, Satour, Achouak, Glidewell, Christopher
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Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Oct2023, Vol. 79 Issue 10, p936-941, 13p
Abstrakt: The title compound, [Fe(C2N3)2(C8H7N5)2]•2H2O, 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index