Spatial structure of m- and o-substituted isologous aryl cyanates

Abstract

1. m-Substituted isologous phenyl cyanates exist in solution as mixtures of the syn- and anti-forms. The fraction of the latter, as well as the dihedral angles between the planes of the aromatic ring and CarECN, increase with the increasing acceptor power of the m- substituent. Changes in the dihedral angles in the case of m-substitution are smaller than in the case of the corresponding p-isomers. 2. o-Substituted isologous phenyl cyanates exist in solution as planar or close-to-planar anti-forms.