Liquid/Single Crystal Structure Analysis: Synthesis and Characterization of a Trimethylsilyl Derived Rod Shaped Mesogen.

4-[4'-Cyanophenoxy-carbonyl-phenyl-4-(trimethylsilyl)ethynyl]benzoate a rod shaped liquid crystal (SmA) is synthesized and characterized. The single-crystals were grown in triclinic crystal system in the space group of Pı - with unit cell parameters a = 5.9577(2) Å, b = 8.0398(3) Å, c = 25.8842(9) Å, α = 86.096(2)o, β = 89.912(2)o, γ = 2.919(2)o, Z = 2, and V = 1182.16(7). The crystal structure is stabilized by C-H···O intra-molecular interactions. Further, the structure also involves C-H···π interactions and weak π-π stacking interactions [centroid-centroid separation = 3.806 (3) Å].