CRYSTAL-STRUCTURES OF ANIL OF BENZOYLFERROCENE AND ITS DERIVATIVE OF MERCURY - SPECIFIC ARRANGEMENT OF THE FERROCENYL AND PHENYL GROUPS AROUND THE C=N BOND

The crystal structures of [(phenylimino)phenylmethyl]ferrocene (1) and oromercurio-1-[(phenylimino)phenylmethyl]ferrocene (2) have been dete rmined by X-ray diffraction methods to obtain structural information o n the anils of benzoylferrocene and their mercurated derivatives. The most striking feature is the specific arrangements of the phenyl and c yclopentadienyl rings around the C=N bond. It has been found that the N-phenyl ring adopts a trans conformation with the ferrocenyl moiety, and the twist angles of both the N-phenyl and C-phenyl rings out of th e plane of C=N bond are much larger than that of the substituted ferro cenyl ring out of this plane. A comparison between the structures of 1 and 2 is presented. The intramolecular coordination between the Hg an d N in compound 2 is confirmed, showing an N-Hg distance of 2.870 Angs trom, shorter than the sum of van der Waals radii of N and Hg (3.05-3. 15 Angstrom).