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

S. B. Bellad, A. M. Babu, M. A. Sridhar, A. Indira, M. S. Madhava and J. Shashidhara Prasad


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. Dcalc = 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.

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Zeitschrift für Kristallographie – Crystalline Materials offers a place for researchers to present results of their crystallographic studies. The journal includes theoretical as well as experimental research. It publishes Original Papers, Letters and Review Articles in manifold areas of crystallography.