title: Synthesis, X-ray crystal structures, and computational studies of 1,1'-bridged 4,4'-diaryl-2,2'-bibenzimidazoles: building blocks for supramolecular structures.
abstract: A series of C-shaped, 1,1'-alkyl-bridged 4,4'-diaryl-2,2'-bibenzimidazoles has been synthesized. The crystal structures of these compounds have been determined and packing diagrams demonstrate that these molecules either form linear intercalated molecular chains or include solvent molecules in the solid state. Crystal structures are compared to computational structures determined using density functional theory, with the BMK/DZV(2d,p) method. The C-shaped or tweezer-like geometry enables them to act as building blocks for supramolecular architectures.
authors.affiliation: Institute of Organic Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057, Zurich, Switzerland.
authors.forename: Derik K
authors.initials: DK
authors.lastname: Frantz
authors.forename: Ashley A
authors.initials: AA
authors.lastname: Sullivan
authors.forename: Yoshizumi
authors.initials: Y
authors.lastname: Yasui
authors.forename: Anthony
authors.initials: A
authors.lastname: Linden
authors.forename: Kim K
authors.initials: KK
authors.lastname: Baldridge
authors.forename: Jay S
authors.initials: JS
authors.lastname: Siegel