Crystal and molecular structure of the tricarbonyliron complex of N-methoxycarbonylazepine

Abstract

The crystal and molecular structure of the tricarbonyliron complex of N-methoxycarbonylazepine has been determined by three-dimensional X-ray techniques. The crystals are triclinic with a= 8·61 (2), b= 6·49(3). c= 10·91(2)Å, α= 93·4(1), β= 93·0(1),γ= 104·5(1)°; there are two molecules of C₈H₉NO₂Fe(CO)₃ in the centro-symmetric space group P. The structure has been refined to an R of 0·091 on 1994 independent non-zero reflexions collected photographically. The tricarbonyliron group complexes to a planar four carbon-atom moiety leaving an uncomplexed carbon–carbon double bond adjacent to the nitrogen atom. The Fe⋯complexed C atom distances range from 2·041(9)–2·145(10)Å while the C–C distances in the four carbon moiety range from 1·398(14)–1·440(12)Å.