Synthesis, spectroscopic characterization and x-ray analysis of 6-nitroquinazoline-2,4(1h,3h)-dione

• VÍCTOR KESTERNICH ^[1] ; MARCIA PÉREZ-FEHRMANN ^[1] ; SERGIO ORTÍZ ^[1] ; FELIPE VERDUGO ^[1] ; IVÁN BRITO ^[2] ; MICHAEL BOLTE ^[3] ; ALEJANDRO CÁRDENAS ^[2]
  1. [1] Universidad Católica del Norte

     Universidad Católica del Norte

     Antofagasta, Chile

     
  2. [2] Universidad de Antofagasta

     Universidad de Antofagasta

     Antofagasta, Chile

     
  3. [3] J. W. Goethe-Universität Frankfurt Institut für Anorganische Chemie

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• Localización: Journal of the Chilean Chemical Society (Boletín de la Sociedad Chilena de Química), ISSN-e 0717-6309, ISSN 0366-1644, Vol. 58, Nº. 3, 2013, págs. 1817-1819
• Idioma: inglés
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  • In this work, 6-nitroquinazoline-2,4(1H,3H)-dione was obtained in two step with good yields using a facile synthetic method. Its structure was characterized by X-ray single crystal diffraction technique (XRD), IR, 1D-NMR (¹H-NMR and 13C-NMR) and 2D-NMR (H-H COSY and H-C HMBC) spectroscopy. All N and O carbonyl atoms are involved in hydrogen bonding, with an average HˑˑˑO distance of 1.89(2) Å and N-HˑˑˑO angles in the range 169.5(2)-177.2(2)°. In the crystal packing the molecules are associated by two strong intermolecular N-H-O hydrogen bonds forming centrosymmetric ring with graph-set motif R²2(8), which are linked by N-HˑˑˑO hydrogen bonds.