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2-Hy­droxy-2,3,5,10,11,11a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11-dione

The seven-membered ring of the title compound, C(12)H(12)N(2)O(3), which is fused with the phenyl­ene ring, adopts a boat-shaped conformation (with the methine C atom as the prow and the phenyl­ene C atoms as the stern); the H atom on the methine linkage exists in an axial position. The five-membere...

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Autores principales: Ourahou, Sarah, Zouihri, Hafid, Massoui, Mohamed, Essassi, El Mokhtar, Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212299/
https://www.ncbi.nlm.nih.gov/pubmed/22090956
http://dx.doi.org/10.1107/S1600536811025244
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author Ourahou, Sarah
Zouihri, Hafid
Massoui, Mohamed
Essassi, El Mokhtar
Ng, Seik Weng
author_facet Ourahou, Sarah
Zouihri, Hafid
Massoui, Mohamed
Essassi, El Mokhtar
Ng, Seik Weng
author_sort Ourahou, Sarah
collection PubMed
description The seven-membered ring of the title compound, C(12)H(12)N(2)O(3), which is fused with the phenyl­ene ring, adopts a boat-shaped conformation (with the methine C atom as the prow and the phenyl­ene C atoms as the stern); the H atom on the methine linkage exists in an axial position. The five-membered ring that is fused with the seven-membered ring adopts an envelope conformation (with the C atom bearing the hy­droxy substituent representing the flap) [the deviation from the plane defined by the other four atoms is 0.200 (7) Å in one mol­ecule and 0.627 (5) Å in the other]. The two independent mol­ecules are disposed about a pseudo center of inversion and are connected by a pair of N—H⋯O hydrogen bonds. Adjacent dimers are linked by a pair of O—H⋯O hydrogen bonds, generating a chain running along the b axis.
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spelling pubmed-32122992011-11-16 2-Hy­droxy-2,3,5,10,11,11a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11-dione Ourahou, Sarah Zouihri, Hafid Massoui, Mohamed Essassi, El Mokhtar Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers The seven-membered ring of the title compound, C(12)H(12)N(2)O(3), which is fused with the phenyl­ene ring, adopts a boat-shaped conformation (with the methine C atom as the prow and the phenyl­ene C atoms as the stern); the H atom on the methine linkage exists in an axial position. The five-membered ring that is fused with the seven-membered ring adopts an envelope conformation (with the C atom bearing the hy­droxy substituent representing the flap) [the deviation from the plane defined by the other four atoms is 0.200 (7) Å in one mol­ecule and 0.627 (5) Å in the other]. The two independent mol­ecules are disposed about a pseudo center of inversion and are connected by a pair of N—H⋯O hydrogen bonds. Adjacent dimers are linked by a pair of O—H⋯O hydrogen bonds, generating a chain running along the b axis. International Union of Crystallography 2011-07-06 /pmc/articles/PMC3212299/ /pubmed/22090956 http://dx.doi.org/10.1107/S1600536811025244 Text en © Ourahou 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
Ourahou, Sarah
Zouihri, Hafid
Massoui, Mohamed
Essassi, El Mokhtar
Ng, Seik Weng
2-Hy­droxy-2,3,5,10,11,11a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11-dione
title 2-Hy­droxy-2,3,5,10,11,11a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11-dione
title_full 2-Hy­droxy-2,3,5,10,11,11a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11-dione
title_fullStr 2-Hy­droxy-2,3,5,10,11,11a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11-dione
title_full_unstemmed 2-Hy­droxy-2,3,5,10,11,11a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11-dione
title_short 2-Hy­droxy-2,3,5,10,11,11a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11-dione
title_sort 2-hy­droxy-2,3,5,10,11,11a-hexa­hydro-1h-pyrrolo­[2,1-c][1,4]benzodiazepine-5,11-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212299/
https://www.ncbi.nlm.nih.gov/pubmed/22090956
http://dx.doi.org/10.1107/S1600536811025244
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