4,4′-Di(N)Hexoxybenzalazine: Crystal and Molecular Structure and Phase Characterization of the Liquid Crystalline Compound

Abstract

Abstract The crystal and molecular structure of the mesogenic title compound (HBA) is described. Lattice parameters are: space group P1, a = 9.003(2) Å, b = 8.850(2) Å, c = 8.510(2) Å, α = 79.63(1)°, β = 65.04(1)°, γ = 87.41(1)° (at T = 299 K). The molecules contain a centre of symmetry and the phenyl rings are coplanar. In order to obtain better structural data for a comparison with its methoxy derivative (MBA) a redetermination of this structure was carried out using a new data set. The melting enthalpy of HBA is 45(2) kJmol−1 (127.8(5)°C) its clearing enthalpy is 1.5(4) kJmol−1 (153.2(5) °C). The fluctuation wave-length 2π/q‖ of 27(2) Å in the nematic state can be compared with the molecular length of 31.63 Å.