Crystal structure of 2-Methyl-2-(2,4,5-trichlorophenoxy)propionic acid

Abstract

The crystal structure of 2-methyl-2-(2,4,5-trichlorophenoxy)propionic acid was determined. C₁₀H₉Cl₃O₃, M_v 283.5, triclinic, P1, a 9.859(2), b 11.542(2), c 6.247(1) Å, α(100.13(2), β 97.26(2), γ 114.68(2)º, p_c 1.52 g cm^-3, Z 2, F(000) 288, μ (CuKα) 66.1 cm^-1. It was solved by direct methods and refined to a final R of 0.051 for 1249 observed reflections. The molecules of the acid form the usual hydrogen bonded cyclic dimers [O. . .O,2.638(5) Å] and have the synplanar-synplanar (carbonyl) side-chain conformation common to the phenoxyacetic acids and 2-phenoxypropionic acids but different from previous determinations of phenoxyisobutyric acid analogues.