6-Nitro-2,3-dihydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione

In the two mol­ecules of the asymmetric unit of the title compound, C(12)H(11)N(3)O(4), the seven-membered diazepine ring adopts a boat conformation (with the two phenyl­ene C atoms representing the stern and the methine C atom the prow). The five-membered pyrrole ring, which has an envelope conform...

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Autores principales: Jebani, Abdessamad, Zouihri, Hafid, El Hakmaoui, Ahmed, Lazar, Saïd, Akssira, Mohamed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213458/
https://www.ncbi.nlm.nih.gov/pubmed/22091037
http://dx.doi.org/10.1107/S1600536811024500
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author Jebani, Abdessamad
Zouihri, Hafid
El Hakmaoui, Ahmed
Lazar, Saïd
Akssira, Mohamed
author_facet Jebani, Abdessamad
Zouihri, Hafid
El Hakmaoui, Ahmed
Lazar, Saïd
Akssira, Mohamed
author_sort Jebani, Abdessamad
collection PubMed
description In the two mol­ecules of the asymmetric unit of the title compound, C(12)H(11)N(3)O(4), the seven-membered diazepine ring adopts a boat conformation (with the two phenyl­ene C atoms representing the stern and the methine C atom the prow). The five-membered pyrrole ring, which has an envelope conformation, makes dihedral angles of 60.47 (10) and 54.69 (9)° with the benzene ring of the benzodiazepine unit in the two mol­ecules. In the crystal, inter­molecular N—H⋯O hydrogen bonds and π–π stacking inter­actions [centroid–centroid distance = 3.8023 (7)–3.8946 (7) Å] lead to the formation of a three-dimensional framework.
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spelling pubmed-32134582011-11-16 6-Nitro-2,3-dihydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione Jebani, Abdessamad Zouihri, Hafid El Hakmaoui, Ahmed Lazar, Saïd Akssira, Mohamed Acta Crystallogr Sect E Struct Rep Online Organic Papers In the two mol­ecules of the asymmetric unit of the title compound, C(12)H(11)N(3)O(4), the seven-membered diazepine ring adopts a boat conformation (with the two phenyl­ene C atoms representing the stern and the methine C atom the prow). The five-membered pyrrole ring, which has an envelope conformation, makes dihedral angles of 60.47 (10) and 54.69 (9)° with the benzene ring of the benzodiazepine unit in the two mol­ecules. In the crystal, inter­molecular N—H⋯O hydrogen bonds and π–π stacking inter­actions [centroid–centroid distance = 3.8023 (7)–3.8946 (7) Å] lead to the formation of a three-dimensional framework. International Union of Crystallography 2011-07-09 /pmc/articles/PMC3213458/ /pubmed/22091037 http://dx.doi.org/10.1107/S1600536811024500 Text en © Jebani et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Jebani, Abdessamad
Zouihri, Hafid
El Hakmaoui, Ahmed
Lazar, Saïd
Akssira, Mohamed
6-Nitro-2,3-dihydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
title 6-Nitro-2,3-dihydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
title_full 6-Nitro-2,3-dihydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
title_fullStr 6-Nitro-2,3-dihydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
title_full_unstemmed 6-Nitro-2,3-dihydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
title_short 6-Nitro-2,3-dihydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione
title_sort 6-nitro-2,3-dihydro-1h-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11(10h,11ah)-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213458/
https://www.ncbi.nlm.nih.gov/pubmed/22091037
http://dx.doi.org/10.1107/S1600536811024500
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