Structural studies of the C4H8N2Fe2(CO)6 complex obtained by cyclization of acetaldazine in the presence of dodecacarbonyl-triiron: investigations by X-ray diffraction and NMR of μ-1,2-(1,2-diaza-3-methylcyclopentane)diyl-bis(tricarbonyliron)

The molecular structure of a complex obtained from 3,4-diazahexa-2,4-diene in reaction with dodecacarbonyl-triiron proceeding via cyclization of the azine was determined by X-ray diffraction. On the basis of X-ray conformational data, the complete assignment of 1H-NMR signals and a determination of geminal and vicinal coupling constants have been performed. The agreement of X-ray and NMR conformational parameters indicated that the differences in the structure of the title complex in the solid state and in solution are negligible.