Structure Analysis of a Rodlike Macromolecule: Poly(2,2'-(p,p'-Biphenyl)−6,6'-bis(4-Phenylquinoline))

Abstract

ABSTRACTUniaxially oriented, crystalline fibers of poly(2,2'-(p,p'-biphenyl)- 6,6'-bis(4-phenylquinoline)) [PBPQ], were subjected to structure analysis via x-ray diffraction and molecular packing analysis. Packing analysis was required due to the sparse and diffuse nature of the fiber diffraction photographs. The combination of the two techniques allowed us to resolve the crystal structure. PBPQ packs in a syn conformation, in a modified herringbone structure. It has a unit cell of a = 16.2Å, b = 5.31Å, c = 21.4Å. There are two independent chains in the unit cell. An overview of the refinement of the crystal structure, the packing analysis and the crystallography are presented.