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3-(2,5-Di­methyl­phen­yl)-8-meth­oxy-2-oxo-1-aza­spiro­[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro­phen­yl)acrylate

In the title compound, C(27)H(27)BrFNO(4), which is an inhibitor of acetyl-CoA carboxyl­ase, the cyclo­hexane ring displays a chair comformation with the spiro-C and meth­oxy-bearing C atoms deviating by 0.681 (7) and −0.655 (1) Å, resppectively, from the mean plane formed by the other four C atoms...

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Detalles Bibliográficos
Autores principales: Xu, Bing-Rong, He, Xing-Rui, Cheng, Jing-Li, Zhao, Jin-Hao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772492/
https://www.ncbi.nlm.nih.gov/pubmed/24046635
http://dx.doi.org/10.1107/S160053681301430X
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author Xu, Bing-Rong
He, Xing-Rui
Cheng, Jing-Li
Zhao, Jin-Hao
author_facet Xu, Bing-Rong
He, Xing-Rui
Cheng, Jing-Li
Zhao, Jin-Hao
author_sort Xu, Bing-Rong
collection PubMed
description In the title compound, C(27)H(27)BrFNO(4), which is an inhibitor of acetyl-CoA carboxyl­ase, the cyclo­hexane ring displays a chair comformation with the spiro-C and meth­oxy-bearing C atoms deviating by 0.681 (7) and −0.655 (1) Å, resppectively, from the mean plane formed by the other four C atoms of the spiro-C(6) ring. The mean planes of the cyclo­hexane and 2-bromo-4-fluoro­phenyl rings are nearly perpendicular to that of the pyrrolidine ring, making dihedral angles 89.75 (6) and 87.60 (9)°, respectively. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers.
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spelling pubmed-37724922013-09-17 3-(2,5-Di­methyl­phen­yl)-8-meth­oxy-2-oxo-1-aza­spiro­[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro­phen­yl)acrylate Xu, Bing-Rong He, Xing-Rui Cheng, Jing-Li Zhao, Jin-Hao Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(27)H(27)BrFNO(4), which is an inhibitor of acetyl-CoA carboxyl­ase, the cyclo­hexane ring displays a chair comformation with the spiro-C and meth­oxy-bearing C atoms deviating by 0.681 (7) and −0.655 (1) Å, resppectively, from the mean plane formed by the other four C atoms of the spiro-C(6) ring. The mean planes of the cyclo­hexane and 2-bromo-4-fluoro­phenyl rings are nearly perpendicular to that of the pyrrolidine ring, making dihedral angles 89.75 (6) and 87.60 (9)°, respectively. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers. International Union of Crystallography 2013-06-08 /pmc/articles/PMC3772492/ /pubmed/24046635 http://dx.doi.org/10.1107/S160053681301430X Text en © Xu et al. 2013 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
Xu, Bing-Rong
He, Xing-Rui
Cheng, Jing-Li
Zhao, Jin-Hao
3-(2,5-Di­methyl­phen­yl)-8-meth­oxy-2-oxo-1-aza­spiro­[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro­phen­yl)acrylate
title 3-(2,5-Di­methyl­phen­yl)-8-meth­oxy-2-oxo-1-aza­spiro­[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro­phen­yl)acrylate
title_full 3-(2,5-Di­methyl­phen­yl)-8-meth­oxy-2-oxo-1-aza­spiro­[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro­phen­yl)acrylate
title_fullStr 3-(2,5-Di­methyl­phen­yl)-8-meth­oxy-2-oxo-1-aza­spiro­[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro­phen­yl)acrylate
title_full_unstemmed 3-(2,5-Di­methyl­phen­yl)-8-meth­oxy-2-oxo-1-aza­spiro­[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro­phen­yl)acrylate
title_short 3-(2,5-Di­methyl­phen­yl)-8-meth­oxy-2-oxo-1-aza­spiro­[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro­phen­yl)acrylate
title_sort 3-(2,5-di­methyl­phen­yl)-8-meth­oxy-2-oxo-1-aza­spiro­[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro­phen­yl)acrylate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772492/
https://www.ncbi.nlm.nih.gov/pubmed/24046635
http://dx.doi.org/10.1107/S160053681301430X
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