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 Pi - with unit cell parameters a = 5.9577(2) Å, b = 8.0398(3) Å, c = 25.8842(9) Å, a = 86.096(2)o , ß = 89.912(2)o , ? = 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···p interactions and weak p–p stacking interactions [centroid–centroid separation = 3.806 (3) Å

Preparation, spectral and thermal properties of new Isoflavone derivatives: mesomorphic properties and DFT studies

<p>The four new homologous series of symmetric Isoflavon dimers were synthesised using varied alkyl/aryl diamines in linear sense. The chemical structures of the molecules were characterised by IR, NMR and CHNS analysis. Further, Liquid crystalline properties were verified using the combination of differential scanning calorimetry (DSC) and polarised optical microscope (POM). The molecular systems studied here reveal that LC property depends on the length of the middle connecting diamine spacer along with terminal alkyl spacer. The lower members favour to exhibit smectic A phase, whereas higher members exhibit nematic mesophase. The nature of LC property behaviours is supported by molecular geometries studied by DFT calculations.</p