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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3772492 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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