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Crystal structure of bis-[4-(1H-pyrrol-1-yl)phen-yl] ferrocene-1,1'-di-carboxyl-ate: a potential chemotherapeutic drug.

ABSTRACT: The title iron(II) complex, [Fe(C16H12NO2)2], crystallizes in the ortho-rhom-bic space group Pbca with the Fe(2+) cation positioned on an inversion center. The cyclo-penta-dienyl (Cp) rings adopt an anti conformation in contrast with other substituted ferrocenes in which the Cp rings appear in a nearly eclipsed conformation. The Cp and the aromatic rings are positioned out of the plane, with a twist angle of 70.20?(12)°, and the C(Cp)-C(CO) bond length is shorter than a typical C-C single bond, which suggests a partial double-bond character and delocalization with the Cp ? system. The structure of the complex is compared to other functionalized ferrocenes synthesized in our laboratory.

SUBMITTER: Perez WI 

PROVIDER: S-EPMC4420060 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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Crystal structure of bis-[4-(1H-pyrrol-1-yl)phen-yl] ferrocene-1,1'-di-carboxyl-ate: a potential chemotherapeutic drug.

Pérez Wanda I WI   Rheingold Arnold L AL   Meléndez Enrique E  

Acta crystallographica. Section E, Crystallographic communications 20150422 Pt 5

The title iron(II) complex, [Fe(C16H12NO2)2], crystallizes in the ortho-rhom-bic space group Pbca with the Fe(2+) cation positioned on an inversion center. The cyclo-penta-dienyl (Cp) rings adopt an anti conformation in contrast with other substituted ferrocenes in which the Cp rings appear in a nearly eclipsed conformation. The Cp and the aromatic rings are positioned out of the plane, with a twist angle of 70.20 (12)°, and the C(Cp)-C(CO) bond length is shorter than a typical C-C single bond,  ...[more]

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