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Synthesis, crystal structure of Z‐1,2‐dimethyl‐1,2‐bis‐( m ‐ferrocenyl‐phenyl)ethene
Author(s) -
XiuRen Bu,
XiaoZeng You,
QingJin Meng,
ManFang Wang
Publication year - 1990
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.19900080210
Subject(s) - chemistry , triclinic crystal system , cyclopentadienyl complex , dihedral angle , crystallography , ferrocene , crystal structure , titanium tetrachloride , derivative (finance) , benzene , double bond , stereochemistry , metallocene , crystal (programming language) , medicinal chemistry , molecule , titanium , hydrogen bond , polymerization , polymer chemistry , catalysis , organic chemistry , polymer , electrode , financial economics , programming language , computer science , economics , electrochemistry
The 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 =1494.2Å 3 . The structure was refined by [least‐squares method for 5151 independent reflections with I >3σ( I ) to a final R =0.0363 and R w =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.