<i>aci</i>‐Nitrodiphenylmethane: A Hydrogen‐Bonded Dimer

Abstract

The first structurally characterized aci-nitromethane, the title compound, was obtained by acidifying its sodium salt. It crystallized as the hydrogen-bonded dimer 1. The eight-membered ring that includes the H bonds has a chair conformation. According to quantum mechanical calculations, the cooperative effect on the formation of the H-bonded dimer is 40%.