Rotational barriers for the rotation of an N-aryl group were investigated via ab initio (Hartree-Fock) calculations in methaqualone, mecloqualone and 3-(2,6-difluorophenyl)-2-methyl-4(3H)-quinazolinone. It was found that the N1 atom acquires an sp3 character in conformations with high steric hindrance. The geometrical parameters of the molecules undergo small changes intended to alleviate the steric hindrance.
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Azanli et al. (2002) studied this question.
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