Crystal structure of (Z)-1-(ferrocenylethynyl)-10-(phenylimino)anthracen-9(10H)-one from synchrotron X-ray powder diffraction

Abstract

In the title compound, [Fe(C5H5)(C27H16NO)], designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclopentadienyl rings adopt an eclipsed conformation. The anthracene tricycle is distorted towards a butterfly conformation and the mean planes of the outer benzene rings are inclined each to other at 22.7 (3)°. In the crystal, molecules are paired into inversion dimers via π–π interactions. Weak intermolecular C—H...π interactions link further these dimers into one-dimensional columns along the b axis, with the ferrocenylethynyl arms arranged between the stacks to fill the voids.

Keywords

• structure determination
• powder diffraction
• synchrotron radiation
• D–A conjugated complex
• ferrocenyl–anthracen-9(10H)-one
• π–π interactions
• C—H...π interactions