Acta Crystallographica Section E (Aug 2009)

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

  • Yelda Bingöl Alpaslan,
  • Hasan Tanak,
  • Erbil Ağar,
  • Ferda Erşahin

DOI
https://doi.org/10.1107/S1600536809026191
Journal volume & issue
Vol. 65, no. 8
pp. o1842 – o1842

Abstract

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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, CAr—CAr and C—N bond lengths are in agreement with the oxocyclohexadienide–iminium zwitterionic form. A strong intramolecular N+—H...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...O hydrogen bonds. In addition, C—H...O hydrogen bonds and very weak C—H...π interactions are observed.