Steric interactions in 2‐substituted imidazoles. The molecular structure of 1‐methyl‐2‐phenylimidazole and 1‐methyl‐4‐phenylimidazole

Abstract

The crystal and molecular structures are reported for two isomeric imidazoles: 1‐methyl‐2‐phenylimida‐zole (1) and 1‐methyl‐4‐phenylimidazole (2). In molecule 2 the phenyl ring is rotated by 7.3° from the het‐erocyclic plane due to steric interactions. The steric congestion is much more severe in 1, with the adjacent methyl and phenyl substituents mininizing nonbonded interactions via a 32.3° rotation of the phenyl ring and a 0.159 Å displacement of the methyl carbon from the heterocyclic plane.