Author:
Kennard CHL,Smith G,Duax WL,Swenson DC
Abstract
The crystal structure of
2-methyl-2-(2,4,5-trichlorophenoxy)propionic acid was
determined. C10H9Cl3O3, Mv 283.5, triclinic, P1, a 9.859(2), b 11.542(2), c 6.247(1) �, α(100.13(2), β
97.26(2), γ 114.68(2)�, pc 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) �] 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.