Abstract
Two centrosymmetric dinuclear iron(III) complexes, [(μ-O)(FeL)2](1) and [Fe2L2(N3)2](2) {H2L = 1,2-Bis[[1-(2-hydroxyphenyl)ethylidene]amino]ethane} have been synthesized and characterized by X-ray crystallographic studies. The structural correlation of these two complexes has been reported. The energies of interesting CH···π interactions have been estimated by DFT calculations. Three different types of CH···π interactions have been observed in the solid state of complexes 1 and 2, which involve a classical π-system (arene), and two non-classical ones (chelate ring and azide co-ligand). Moreover, the NCI plot index has been used to characterize these interactions. The CH···π(arene) interactions in complex 2 have been found to be weaker than the CH···π(Chelate Ring) interaction in complex 1, thus confirming the higher ability of the chelate ring to participate in CH···π interactions.
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