Crystal structure of (1S,2S,2′R,3a′S,5R)-2′-[(5-bromo-1H-indol-3-yl)meth­yl]-2-isopropyl-5,5′-dimethyl­dihydro-2′H-spiro­[cyclo­hexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′H)-one

In the title compound, C(24)H(32)BrN(3)O(2), the six-membered cyclo­hexane ring adopts a chair conformation and the isoxasolidine ring adopts a twisted conformation. The mol­ecule has five chiral centres and the absolute configuration has been determined in this analysis. The mol­ecular structure is...

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Autores principales: Ghannay, Siwar, Brahmi, Jihed, Nasri, Soumaya, Aouadi, Kaïss, Jeanneau, Erwann, Msaddek, Moncef
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971846/
https://www.ncbi.nlm.nih.gov/pubmed/27536387
http://dx.doi.org/10.1107/S2056989016010872
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author Ghannay, Siwar
Brahmi, Jihed
Nasri, Soumaya
Aouadi, Kaïss
Jeanneau, Erwann
Msaddek, Moncef
author_facet Ghannay, Siwar
Brahmi, Jihed
Nasri, Soumaya
Aouadi, Kaïss
Jeanneau, Erwann
Msaddek, Moncef
author_sort Ghannay, Siwar
collection PubMed
description In the title compound, C(24)H(32)BrN(3)O(2), the six-membered cyclo­hexane ring adopts a chair conformation and the isoxasolidine ring adopts a twisted conformation. The mol­ecule has five chiral centres and the absolute configuration has been determined in this analysis. The mol­ecular structure is stabilized by weak intra­molecular C—H⋯O and C—H⋯N contacts. In the crystal, mol­ecules are linked by N—H⋯N and C—H⋯O hydrogen bonds, forming undulating sheets parallel to the bc plane.
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spelling pubmed-49718462016-08-17 Crystal structure of (1S,2S,2′R,3a′S,5R)-2′-[(5-bromo-1H-indol-3-yl)meth­yl]-2-isopropyl-5,5′-dimethyl­dihydro-2′H-spiro­[cyclo­hexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′H)-one Ghannay, Siwar Brahmi, Jihed Nasri, Soumaya Aouadi, Kaïss Jeanneau, Erwann Msaddek, Moncef Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(24)H(32)BrN(3)O(2), the six-membered cyclo­hexane ring adopts a chair conformation and the isoxasolidine ring adopts a twisted conformation. The mol­ecule has five chiral centres and the absolute configuration has been determined in this analysis. The mol­ecular structure is stabilized by weak intra­molecular C—H⋯O and C—H⋯N contacts. In the crystal, mol­ecules are linked by N—H⋯N and C—H⋯O hydrogen bonds, forming undulating sheets parallel to the bc plane. International Union of Crystallography 2016-07-12 /pmc/articles/PMC4971846/ /pubmed/27536387 http://dx.doi.org/10.1107/S2056989016010872 Text en © Ghannay et al. 2016 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 Research Communications
Ghannay, Siwar
Brahmi, Jihed
Nasri, Soumaya
Aouadi, Kaïss
Jeanneau, Erwann
Msaddek, Moncef
Crystal structure of (1S,2S,2′R,3a′S,5R)-2′-[(5-bromo-1H-indol-3-yl)meth­yl]-2-isopropyl-5,5′-dimethyl­dihydro-2′H-spiro­[cyclo­hexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′H)-one
title Crystal structure of (1S,2S,2′R,3a′S,5R)-2′-[(5-bromo-1H-indol-3-yl)meth­yl]-2-isopropyl-5,5′-dimethyl­dihydro-2′H-spiro­[cyclo­hexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′H)-one
title_full Crystal structure of (1S,2S,2′R,3a′S,5R)-2′-[(5-bromo-1H-indol-3-yl)meth­yl]-2-isopropyl-5,5′-dimethyl­dihydro-2′H-spiro­[cyclo­hexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′H)-one
title_fullStr Crystal structure of (1S,2S,2′R,3a′S,5R)-2′-[(5-bromo-1H-indol-3-yl)meth­yl]-2-isopropyl-5,5′-dimethyl­dihydro-2′H-spiro­[cyclo­hexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′H)-one
title_full_unstemmed Crystal structure of (1S,2S,2′R,3a′S,5R)-2′-[(5-bromo-1H-indol-3-yl)meth­yl]-2-isopropyl-5,5′-dimethyl­dihydro-2′H-spiro­[cyclo­hexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′H)-one
title_short Crystal structure of (1S,2S,2′R,3a′S,5R)-2′-[(5-bromo-1H-indol-3-yl)meth­yl]-2-isopropyl-5,5′-dimethyl­dihydro-2′H-spiro­[cyclo­hexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′H)-one
title_sort crystal structure of (1s,2s,2′r,3a′s,5r)-2′-[(5-bromo-1h-indol-3-yl)meth­yl]-2-isopropyl-5,5′-dimethyl­dihydro-2′h-spiro­[cyclo­hexane-1,6′-imidazo[1,5-b]isoxazol]-4′(5′h)-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4971846/
https://www.ncbi.nlm.nih.gov/pubmed/27536387
http://dx.doi.org/10.1107/S2056989016010872
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