ic9806939_si_002.cif (70.76 kB)
An Amide-Linked Ferrocene Dimer, [(CH3CONHC5H4)Fe(C5H4CONHC5H4)Fe(C5H4CONHCH3)]. Formation of Inter- and Intramolecular NH···OC Hydrogen Bonds
datasetposted 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···OC hydrogen bonds in the crystal. On the other hand, they form intramolecular NH···OC 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.