The Crystal and Molecular Structure of 1,18‐dibromooctadecane

Abstract

Abstract The crystal and molecular structures of 1,18‐dibromooctadecane are determined precisely by X‐ray diffraction method. The results obtained are as follows: empirical formula, C 18 H 36 Br 2 , formula weight Mr = 412.27, crystal system, monoclinic, space group, P2 1 /n, lattice parameters, a = 5.496(1), b = 5.403(1), c = 34.374(4) Å, β = 94.50(1)°, volume of unit cell, V = 1017.6(3) Å 3 , Z value, Z = 2, calculated density, D x = 1.346 g/cm 3 , wave length of X‐ray, λ(CuKα) = 1.5418 Å, absorption coefficient, μ(CuKα) = 49.64 cm −1 , F(000) = 428.00, temperature, T = 293 ± 1 K, R factor, R = 0.052, weighted R factor, R w = 0.078 for 1019 unique observed reflection [ I > 3σ ( I )]. There are no unusual bond distances or angles. The structure obtained here is quite similar to that of 1,12‐dibromododecane.