Molecular conformation of di-o-anisylcarbinol: an X-ray diffraction study

Abstract

Di-o-anisylcarbinol crystallizes in the triclinic system, space group [Formula: see text] with a = 7.50 (4), b = 10.89 (4), c = 7.98 (3) Å, α = 101.9 (1), β = 94.1 (1), γ = 94.6 (1)°, Z = 2, V = 633.11 Å3, Dc = 1.28 mg m−3, Dm = 1.26 (1) mg m−3, CuKα radiation, λ = 1.54178 Å, μ(CuKα) = 0.633 mm−1, F(000) = 260. The structure has been determined by direct methods using single crystal X-ray data and refined by least-squares to the final R factors R = 5.89% and Rw = 5.35%. The molecule has a twist-skewed conformation with the phenyl rings on nearly orthogonal planes. The crystal structure shows a hydrogen-bonded dimer and a peculiar arrangement of the methoxy and phenyl groups.