Crystal structure of 4′-bromo-2′,5′-dimethoxy-2,5-dioxo-[1,1′-biphenyl]-3,4-dicarbonitrile [BrHBQ(CN)2] benzene hemisolvate

Abstract

In the crystal of the title compound, C16H9BrN2O4·0.5C6H6, the molecules stack in a centrosymmetric unit cell in a 2:1 stoichiometry with co-crystallized benzene solvent molecules and interact via various weak interactions. This induces a geometry different from that predicted by theory, and is unique among the hemibiquinones heretofore reported.

Keywords

• hemibiquinone
• molecular rectifier
• crystal structure