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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, C(13)H(15)NO(3), (I), and 6-meth­oxy-1,2,3,4-tetra­hydro­car­ba­zole, C(13)H(15)NO, (II), represent the structures of a benzoazonine that contains a nine-membered ring and its parent tetra­hydro­car­ba­zole. The mol­ecules of (I) pack toge...

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Autores principales: Flores, Maritza J., Mai, Brandon, Tanski, Joseph M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483559/
https://www.ncbi.nlm.nih.gov/pubmed/37693673
http://dx.doi.org/10.1107/S2056989023007259
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author Flores, Maritza J.
Mai, Brandon
Tanski, Joseph M.
author_facet Flores, Maritza J.
Mai, Brandon
Tanski, Joseph M.
author_sort Flores, Maritza J.
collection PubMed
description 9-Meth­oxy-3,4,5,6-tetra­hydro-1H-benzo[b]azonine-2,7-dione, C(13)H(15)NO(3), (I), and 6-meth­oxy-1,2,3,4-tetra­hydro­car­ba­zole, C(13)H(15)NO, (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.
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spelling pubmed-104835592023-09-08 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 Flores, Maritza J. Mai, Brandon Tanski, Joseph M. Acta Crystallogr E Crystallogr Commun Research Communications 9-Meth­oxy-3,4,5,6-tetra­hydro-1H-benzo[b]azonine-2,7-dione, C(13)H(15)NO(3), (I), and 6-meth­oxy-1,2,3,4-tetra­hydro­car­ba­zole, C(13)H(15)NO, (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. International Union of Crystallography 2023-08-23 /pmc/articles/PMC10483559/ /pubmed/37693673 http://dx.doi.org/10.1107/S2056989023007259 Text en © Flores et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Flores, Maritza J.
Mai, Brandon
Tanski, Joseph M.
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483559/
https://www.ncbi.nlm.nih.gov/pubmed/37693673
http://dx.doi.org/10.1107/S2056989023007259
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