2-[(E)-(2-Morpholinoethyl)iminiomethyl]-4-nitro-1-oxocyclohexadienide

Abstract

The molecule of the title compound, C13H17N3O4, exists as a zwitterion, with the H atom of the phenol group being transferred to the imine N atom. The C=O, C-Ar-C-Ar and C-N bond lengths are in agreement with the oxocyclohexadienide-iminium zwitterionic form. A strong intramolecular N+-H center dot center dot center dot O hydrogen bond generates an S(6) ring motif. The morpholine ring adopts a chair conformation. In the crystal, molecules are linked into centrosymmetric dimers by intermolecular N-H center dot center dot center dot O hydrogen bonds. In addition, C-H center dot center dot center dot O hydrogen bonds and very weak C-H center dot center dot center dot pi interactions are observed.