Crystal and Molecular Structure of a Cybotactic Nematic Compound bis(4′-n-Butoxybenzal—Chloro-1,4-Phenylinediamine

Abstract

The crystal and molecular structure of a cybotactic nematic compound bis-(4′-n-butoxybenzal—chloro-1,4-phenylinediamine (BOCP in short) has been reported. The crystals belong to monoclinic system with space group P2₁/c, a = 36.693, b = 14.940, c = 6.1058 Å, β = 93.89° and Z = 4. The structure was determined by direct methods, with a final R-value of 0.049 (R_w = 0.070) for 1979 observed reflections. The molecules are almost in their extended conformation. The molecules are inclined to the ab-plane, the planar aromatic core region being almost parallel to the ac-plane. Molecular packing in relation to the liquid crystal phase is discussed.

Key Words:

• liquid crystal
• cybotactic nematic
• x-ray study
• crystal structure
• structure-property relationship