First accurate molecular and crystal structure of the Meisenheimer complex of 2,4,6-trinitrobenzene

摘要

The first accurate and reliable molecular and crystal structure of the Meisenheimer complex of 2,4,6-trinitrobenzene (potassium (1,4-dioxolane)-2-spiro-1'-2',4',6'-trin nide) has been obtained by X-ray diffraction. The C-NO2 bond length for the substituent in the para position of the six-membered ring is shorter than for the other ones, and the bond lengths in the unsaturated parts of the anion are not equal. These facts indicate an essential contribution of the 1,4-diene geometry of the ring as well as of the aci resonance forms of the nitro groups to the structure of the anion. [References: 16]