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Spectroscopic, crystallographic, and Hirshfeld surface characterization of nine-membered-ring-containing 9-meth-oxy-3,4,5,6-tetra-hydro-1 H -benzo[ b ]azonine-2,7-dione and its parent tetra-hydro-car-ba-zole.

Maritza J FloresBrandon MaiJoseph M Tanski
Published in: Acta crystallographica. Section E, Crystallographic communications (2023)
9-Meth-oxy-3,4,5,6-tetra-hydro-1 H -benzo[ b ]azonine-2,7-dione, C 13 H 15 NO 3 , (I), and 6-meth-oxy-1,2,3,4-tetra-hydro-car-ba-zole, C 13 H 15 NO, (II), represent the structures of a benzoazonine that contains a nine-membered ring and its parent tetra-hydro-car-ba-zole. The mol-ecules of (I) pack together via strong amide N-H⋯O hydrogen bonding and weak C-H⋯O inter-actions, whereas the parent tetra-hydro-car-ba-zole (II) packs with C/N-H⋯π inter-actions, as visualized by Hirshfeld surface characterization.
Keyphrases
  • crystal structure
  • high resolution
  • mass spectrometry