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A new monoclinic polymorph of 1,1′-bis(diphenylthiophosphoryl)ferrocene

By Yee Seng Tan, Chien Ing Yeo and Edward R. T. Tiekink


The title compound, [Fe(C17H14PS)2], is a second monoclinic polymorph (P21/c, with Z′ = 1) of the previously reported monoclinic (C2/c, with Z′ = 1/2) form [Fang et al. (1995). Polyhedron, 14, 2403–2409]. In the new form, the S atoms lie to the same side of the molecule with the pseudo S—P...P—S torsion angle being −53.09 (3)°. By contrast to this almost syn disposition, in the C2/c polymorph, the Fe atom lies on a centre of inversion so that the S atoms are strictly anti, with a pseudo-S—P...P—S torsion angle of 180°. The significant difference in molecular conformation between the two forms does not result in major perturbations in the P=S bond lengths nor in the distorted tetrahedral geometries about the P atoms. The crystal packing of the new monoclinic polymorph features weak Cp—C—H...π(phenyl) interactions consolidating linear supramolecular chains along the a axis. These pack with no directional interactions between them

Topics: crystals structure, ferrocene derivative, polymorph, conformation, Chemistry, QD1-999
Publisher: International Union of Crystallography
Year: 2015
DOI identifier: 10.1107/S2056989015012682
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