The deviations from the hexagonal structure of the phenyl rings in crystalline biphenyl have been explained in terms of HH-repulsion between the ortho-hydrogens. A number of HH-repulsive potentials have been examined and that with the most gently declining repulsive term appears to reproduce the observed ring deformations the best.
K. Miller and J. N. Murrell, Trans. Faraday Soc., 1967, 63, 806 DOI: 10.1039/TF9676300806
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