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Crystal structure of 1,1'-bis-(2-meth-oxy-carbonyl-2-methyl-prop-yl)ferrocene.

ABSTRACT: The Fe atom in the title ferrocene derivative, [Fe(C11H15O2)2], is situated on an inversion centre. As a result of the point-group symmetry -1 of the mol-ecule, the ferrocene moiety adopts a staggered conformation. The average Fe-C(Cp) bond length (Cp is cyclo-penta-dien-yl) is 2.045?(4)?Å, in agreement with that of other disubstituted ferrocenes. The Fe-C bond length involving the substituted C atom is slightly longer [2.0521?(17)?Å] than the remaining Fe-C bond lengths caused by the inductive effect of the methyl-ene group on the Cp ring. Apart from van der Waals forces, no significant inter-molecular inter-actions are observed in the crystal packing.

SUBMITTER: Guo YF

PROVIDER: S-EPMC4719839 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

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Crystal structure of 1,1'-bis-(2-meth-oxy-carbonyl-2-methyl-prop-yl)ferrocene.

Guo Yan-Feng YF Wang Jian-Jun JJ Xu Wei-Juan WJ Sun Dong-Hao DH Gao Qiang Q

Acta crystallographica. Section E, Crystallographic communications 20151107 Pt 12

The Fe atom in the title ferrocene derivative, [Fe(C11H15O2)2], is situated on an inversion centre. As a result of the point-group symmetry -1 of the mol-ecule, the ferrocene moiety adopts a staggered conformation. The average Fe-C(Cp) bond length (Cp is cyclo-penta-dien-yl) is 2.045 (4) Å, in agreement with that of other disubstituted ferrocenes. The Fe-C bond length involving the substituted C atom is slightly longer [2.0521 (17) Å] than the remaining Fe-C bond lengths caused by the inductive ...[more]

PMID: 26870430

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