Synthesis, crystal structure of Z‐1,2‐dimethyl‐1,2‐bis‐(m‐ferrocenyl‐phenyl)ethene

Abstract

AbstractThe binuclear ferrocene derivative, Z‐1, 2‐dimethyl‐1, 2‐bis (m‐ferrocenylphenyl)e hene (Z‐DDFP) has been isolated from the mixture of the coupling reaction of m‐ferrocenylacetophenone (m‐FAP) by the low‐valent titanium salts obtained from zinc/titanium tetrachloride in THF. The single crystal X‐ray structure of the complex as benzene solvate has been determined and found to be triclinic with cell constants a=7.748(5), b=10.600(7), c=18.550(4)Å, α=97.565(5)°, β=98.551(8)°, γ=90.318(8)° and V=1494.2Å3. The structure was refined by [least‐squares method for 5151 independent reflections with I>3σ(I) to a final R=0.0363 and Rw=0.0523. The two cyclopentadienyl rings in each ferrocenyl unit are approximately parallel. The two phenyl rings are significantly twisted by 66.80° from each other in the stable configuration. Both the ferrocenyl units on the same side of the C=C double bond are not co‐planar with a mean dihedral angle of 96.28°. The structural analysis shows that the chain linking two central iron atoms is about 18Å, significantly close to those found in some biological models.