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An Amide-Linked Ferrocene Dimer, [(CH3CONHC5H4)Fe(C5H4CONHC5H4)Fe(C5H4CONHCH3)]. Formation of Inter- and Intramolecular NH···OC Hydrogen Bonds

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posted on 01.12.1998, 00:00 by Taka-aki Okamura, Keiko Sakauye, Norikazu Ueyama, Akira Nakamura
An amide-linked ferrocene dimer, [(CH3CONHC5H4)Fe(C5H4CONHC5H4)Fe(C5H4CONHCH3)] (7), and a monomer, [(CH3CONHC5H4)Fe(C5H4CONHCH3)] (5), were synthesized, and their unique structures were determined by X-ray analysis. Amide planes are stacked with respect to each other in both crystal and dilute solution. These complexes form intermolecular NH···OC hydrogen bonds in the crystal. On the other hand, they form intramolecular NH···OC hydrogen bonds in a dilute solution as established by IR and 1H NMR measurements. Spectral data suggest the presence of flapping structures in solution. Crystal data for 5:  triclinic, P1̄, a = 9.358(3) Å, b = 9.947(4) Å, c = 7.946(3) Å, α = 106.86(3)°, β = 113.15(3)°, γ = 76.59(3)°, V = 644.9(5) Å3, Z = 2. 7·1/2EtCN:  orthorhombic, Pna21, a = 7.467(4) Å, b = 14.048(4) Å, c = 23.400(5) Å, Z = 4.