Part 7
Crystal Structure of 5-[4-(Dodecyloxy)benzoyloxy]-2-(hexadecanoyloxy)tropone
2018 Volume 34 Pages 27-28
Details
2018 Volume 34 Pages 27-28
5-[4-(Dodecyloxy)benzoyloxy]-2-(hexadecanoyloxy)tropone (1) exhibits an enantiotropic smectic A phase. The structure of 1 was determined by X-ray crystallography. It crystallizes in the space group P1 (#2) with cell parameters a = 5.400(2)Å, b = 9.659(4)Å, c = 37.485(16)Å, α = 92.51(2)°, β = 90.915(17)°, γ = 91.484(15)°, Z = 2, and V = 1952.5(14)Å3. The R1(I > 2σ(I)) and wR2 (all data) values are 0.1059 and 0.2152, respectively. The molecular length of 1 is 46.26(2)Å and each paraffin chain has an all-trans conformation. The molecules form a layer structurex via intermolecular C–H···O and C-H···π interactions.
