Spectroscopic, crystallographic, and Hirshfeld surface characterization of nine-membered-ring-containing 9-methoxy-3,4,5,6-tetrahydro-1H-benzo[b]azonine-2,7-dione and its parent tetrahydrocarbazole

9-Methoxy-3,4,5,6-tetrahydro-1H-benzo[b]azonine-2,7-dione, C13H15NO3, (I), and 6-methoxy-1,2,3,4-tetrahydrocarbazole, C13H15NO, (II), represent the structures of a benzoazonine that contains a nine-membered ring and its parent tetrahydrocarbazole. The molecules of (I) pack together via strong amide N — H...O hydrogen bonding and weak C — H...O interactions, whereas the parent tetrahydrocarbazole (II) packs with C/N — H... π interactions, as visualized by Hirshfeld surface characterization.

Source: Acta Crystallographica Section E - August 23, 2023 Category: Chemistry Authors: Flores, M.J. Mai, B. Tanski, J.M. Tags: crystal structure tetrahydrocarbazole benzo[b]azonine nine-membered ring hydrogen bond research communications Source Type: research