Crystal structure of 1-ferrocenyl-2-(4-nitro-phen-yl)ethyne.

ABSTRACT: The title ferrocene derivative, [Fe(C₅H₅)₂(C₈NO₂)], including an alkyne bonded to a para-nitro-phenyl substituent, which was synthesized from a copper-free Sonogashira cross-coupling reaction between ethynylferrocene and 4-bromo-1-nitro-benzene, crystallizes in the P2₁/n space group. In the ferrocene unit, the penta-dienyl (Cps) rings are in an eclipsed conformation. The angle of rotation between the substituted cyclo-penta-dienyl ring and the p-nitro-phenyl group is 6.19 (10)°, yielding a quasi-linear extension of the ferrocenyl substitution. Important inter-molecular inter-actions arise from π-π stacking between the Cp rings and the p-nitro-phenyl, from corners of the Cp rings that are pe

SUBMITTER: Delgado Rivera SM 

PROVIDER: S-EPMC7405585 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature