S. Wigand, L. Walz, N. Weiden
Nov 1, 1987
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Abstract
The crystal structures of 1,2,4,5-Tetrachloro-3,6-dinitrobenzene and of 1,3,5-Trichloro-2,4-dinitrobenzene were determined and the temperature dependence of the 35Cl NQR frequencies was investigated. 1,2,4,5-Cl4-3,6-(NO2)2C6 crystallizes monoclinic, space group C32h-C2/m with 2 molecules in the unit cell. The lattice constants are a = 990.4 pm, b = 923.4 pm, c = 573.5 pm, β = 92.721°. The plane of the nitro groups is perpendicular to the benzene ring. - 1,3,5-Cl3-2,4-(NO2)2C6H crystallizes monoclinic, space group C52h-P21/c with 4 molecules in the unit cell. The lattice constants are a = 821.3 pm, b = 924.8 pm, c = 1300.0 pm, β = 92.39°. The nitro groups are tilted out of the ring plane (79.7° and 87.6°). — The 35Cl NQR spectra are in agreement with the crystal structures and in both cases no phase transition occurs in the temperature range 77 ≦ T/K ≦ melting point.