Liquid/Single crystal structure analysis: Synthesis and characterization of a Trimethylsilyl derived rod shaped Mesogen.

Abstract

The synthesis 4-[4'-cyanophenoxy-carbonyl-phenyl-4-(trimethylsilyl)ethynyl]benzoate a rod shaped liquid crystal of Smectic phase is reported. The single-crystal diffraction studies indicate triclinic crystal system in the space group with unit cell parameters a = 5.9577(2) Å, b = 8.0398(3) Å, c = 25.8842(9) Å, α = 86.096(2), β = 89.912(2), γ =2.919(2), Z = 2, and V = 1182.16(7). The crystal structure is stabilized by C–H· · ·O intra-molecular interactions. The structure also involves C–H· · ·π weak π-π stacking interaction [centroid–centroid separation = 3.806 (3) Å].