Crystal structure of mesogenic material – 2-(4′-cyano phenyl)-5-n-heptyl-l,3 dioxane

Abstract

Abstract The crystalline form of 2-(4′-cyano phenyl)-5-n heptyl-1,3 dioxane C18NO2H25 is orthorhombic and is assigned to space group P212121 with four molecules per unit cell. The cell parameters are a = 5.5450(2) Å, b = 7.7334(3) Å, c = 41.0765(2) Å. D calc = 1.082 Mg · m−3. The structure was refined to an R = 0.07 for 840 counter intensities. The molecule is linear. The packing of the molecules shows a strong layered arrangement. This mesogenic compound exhibits a smectic phase in the range 53–55°C during heating and 55–42°C during cooling.