Crystal Structure of 2-Ethyl

Abstract

In the title inner salt molecule, C<inf>10</inf>H<inf>10</inf>N<inf>2</inf>O<inf>3</inf>, the four-membered cyclobutene ring is twisted by 7.1 (2)° with respect to the five-membered imidazole ring. The crystal packing exhibits an R<inf>2</inf><inf>2</inf>(9) hydrogen-bonding ring motif through N- H⋯O and C-H⋯O interactions. The potential non-linear optical properties were studied by a computational ab initio calculations performed at the DFT/ B3LYP/6-31++G(d,p) level of theory.