Crystal Structure of Meisenheimer Complex

Abstract

CHEMICAL and spectroscopic evidence exist for the equivalence of the attached substituent groups of Meisenheimer complexes¹, but the detailed structure of these complexes has not as yet been elucidated. We report here the structure of the 1,1-dimethoxy-2,4,6-trinitro-benzene ion. The crystal analysed was and was obtained by recrysfcallization from acetonitrile. The space group and the unit cell dimensions are triclinic, P&1macr; with a = 9.36, b = 10.84, c = 7.40 ± 0.02 Å, α = 87° 40′, β = 106° 43′, γ = 102° 45′ ± 20′, Z = 2, d calc = 1.65, and d obs = 1.64.