Determination of the Molecular Structures of CF3NO2 and CBr3NO2 by Electron Diffraction

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Abstract
The structure of the halopicrins is of particular interest since these compounds are not very stable. Of interest also is the orientation of the threefold group at one end of the C–N bond with respect to the —NO2 group at the other end. The quantitative sector‐microphotometer method in electron diffraction was employed for studying the structures of bromopicrin and fluoropicrin. In both molecules, the —CX3 group and N–O bond have the expected values for bond lengths and angles. On the other hand, the C–N distance is very long, 1.59 A in CBr3NO2 and 1.56 A in CF3NO2; the ONO angle has values of 134° and 132°, respectively; the —CNO2 group is not planar; and the molecule assumes a staggered configuration similar to that found in ethane compounds (with one position vacant).