Crystal Structure of 11-{[(4′-Heptoxy-4-Biphenylyl) Carbonyl] Oxy}-1-Undecyne

The crystal structure of 11-{[(4′-heptoxy-4-biphenylyl) carbonyl] oxy}-1-undecyne (A9EO7), an acetylene with a biphenyl mesogenic moiety, was studied by combination of electron diffraction (ED), wide-angle X-ray diffraction (WAXD), and molecular simulation of ED pattern and molecular packing. A9E07 was found to adopt an orthorhombic P2₁2₁2 space group with cell parameters of a = 5.78 Å, b=7.46 Å, and c = 63.26 Å, for which molecular packing calculations were conducted to elucidate the molecular conformation. Its crystal morphology was observed using a transmission electron microscope (TEM) and an atom force microscope (AFM), A9E07 crystal grew to form step like morphology. Crystallization behavior of A9E07 in magnetic field was examined. Induced by magnetic field A9EO7 could crystallize in such a way that its molecular long axis was parallel to the substrate.