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3-Ferrocenyl-2-(4-nitro-phen-yl)acrylonitrile
Vincent O Nyamori1, Narainamah N Moodley
1School of Chemistry, University of KwaZulu-Natal, Westville Campus, Private Bag X54001, Durban, 4000, South Africa.
Acta Crystallographica. Section E, Structure Reports Online
|November 9, 2011
Summary
The ferrocenyl rings in [Fe(C(5)H(5))(C(14)H(9)N(2)O(2))] show a large eclipsed conformation. This unique structural feature, with a staggering angle of 15.9°, is notable in organometallic chemistry.
Area of Science:
- Organometallic Chemistry
- Crystallography
- Ferrocene Derivatives
Background:
- Ferrocene derivatives are crucial in organometallic chemistry.
- Understanding the conformational preferences of ferrocenyl rings is key to predicting compound properties.
- The title compound, [Fe(C(5)H(5))(C(14)H(9)N(2)O(2))], presents an opportunity to study unique ferrocene structures.
Purpose of the Study:
- To characterize the crystal structure of [Fe(C(5)H(5))(C(14)H(9)N(2)O(2))].
- To analyze the conformational details of the ferrocenyl moiety within the compound.
- To compare the observed conformation with those in related ferrocene derivatives.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- The crystallographic data was analyzed to ascertain bond lengths, bond angles, and dihedral angles.
- Conformational analysis focused on the staggering angle between the cyclopentadienyl rings.
Main Results:
- The crystal structure of [Fe(C(5)H(5))(C(14)H(9)N(2)O(2))] was successfully elucidated.
- The ferrocenyl rings were found to adopt an eclipsed conformation.
- A significant staggering angle of 15.9° was measured, deviating notably from typical values.
Conclusions:
- The compound [Fe(C(5)H(5))(C(14)H(9)N(2)O(2))] exhibits an unusually large eclipsed conformation for its ferrocenyl rings.
- This finding contributes to the understanding of structural diversity in ferrocene chemistry.
- The observed conformation may influence the electronic and reactivity properties of the compound.
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