title: 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 π system. The structure of the complex is compared to other functionalized ferrocenes synthesized in our laboratory.
authors.affiliation: University of Puerto Rico, Department of Chemistry, PO Box 9019, Mayaguez, Puerto Rico 00681, USA.
authors.forename: Wanda I
authors.initials: WI
authors.lastname: Pérez
authors.affiliation: University of California-San Diego, Department of Chemistry, Urey Hall 5128, 9500 Gilman Drive, La Jolla, CA 92093-0358, USA.
authors.forename: Arnold L
authors.initials: AL
authors.lastname: Rheingold
authors.affiliation: University of Puerto Rico, Department of Chemistry, PO Box 9019, Mayaguez, Puerto Rico 00681, USA.
authors.forename: Enrique
authors.initials: E
authors.lastname: Meléndez
keywords: MCF-7; anti­proliferative; chemotherapeutic drug; crystal structure; disubstituted ferrocene; pyrrole