Crystal structure of mesogenic material – trans-4-propyl cyclohexyl-4-(trans-4-pentyl cyclohexyl) benzoate

Abstract

Abstract The compound (C27H42O2) crystallizes in the triclinic space group P[unk] with a = 7.292(2) Å, b = 11.417(2) Å, c = 15.175(3) Å, α = 86.27(2)°, β = 83.11(3)°, γ = 88.94(2)° and two molecules per unit cell. Dc = 1.058 Mg·m−3. The structure was solved by direct methods (MULTAN) using 1746 observed reflections [I > 3.5σ(I)]. It was refined by block diagonal least squares method to a final Rf = 0.092 (Rw = 0.073). The central phenyl ring makes angles of 111.77(18)° and 125.05(18)° with the mean planes of the two cyclohexane rings. The mean planes of the two cyclohexane rings make an angle of 14.53(19)°. The pairs of molecules related by a centre of symmetry form an imbricated arrangement in the crystalline state when viewed along c and a strong layering when viewed along a.