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

Abstract

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.

Keywords

• crystals structure
• ferrocene derivative
• polymorph
• conformation