The crystal structure reveals iron(II) coordinated in octahedral geometry by imidazole and porphyrin ligands, suggesting unique interactions.
The title complex, [Fe(C 4 H 6 N 2 ) 2 (C 44 H 28 N 4 )]·3C 7 H 8 , possesses inversion symmetry with the iron(II) atom located on a center of symmetry. The metal atom is coordinated in a symmetric octahedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 1-methylimidazole ligands in the axial sites; the complex crystallizes with three toluene solvent molecules. The average Fe—N P (N P is a porphyrin N atom) bond length is 1.994 (3) Å and the axial Fe—N Im (N Im is an imidazole N atom) bond length is 2.0000 (14) Å. The two 1-methylimidazole ligands are mutually parallel. The dihedral angle between the 1-methylimidazole plane and the plane of the closest Fe—N P vector is 25.54 (10)°. In the crystal, the only significant intermolecular interactions present are C—H...π interactions.
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Ding et al. (2025) studied this question.
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