X-Ray Analysis of the Structure of Dibenzyl. II. Fourier Analysis

The first part of this work described the analysis of the structure by trial and gave some account of the experimental measurements. It was shown that in contrast with planar aromatic structures like naphthalene and diphenyl, the dibenzyl molecule in the crystal extends in three dimensions. In the molecular model which gave the best explanation of the results the planes of the benzene rings were at right angles to the plane containing the zig-zag of the connecting CH2 groups. On the basis of this approximation the experimentally determined structure factors for three zones of reflections have now been subjected to a double Fourier analysis, and the results, given below, lead to a more precise definition of the orientation and give a more direct approach to the details of the molecular structure and dimensions. In the final result the regular three-dimensional model is slightly modified, the planes of the benzene rings being apparently turned from 13° to 16° out of the symmetrical position.