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rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate
The asymmetric unit of the title compound, C(18)H(30)N(2)O(4), contains two independent molecules. In each molecule, the cyclohexane ring adopts a chair conformation with equatorial orientation of the substituents, and the conformation is stabilized by two intramolecular N—H⋯O hydrogen bonds, fo...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089325/ https://www.ncbi.nlm.nih.gov/pubmed/21754555 http://dx.doi.org/10.1107/S1600536811015248 |
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author | Harrad, Mohamed Anoir Boualy, Brahim Ali, Mustapha Ait Firdoussi, Larbi El Rizzoli, Corrado |
author_facet | Harrad, Mohamed Anoir Boualy, Brahim Ali, Mustapha Ait Firdoussi, Larbi El Rizzoli, Corrado |
author_sort | Harrad, Mohamed Anoir |
collection | PubMed |
description | The asymmetric unit of the title compound, C(18)H(30)N(2)O(4), contains two independent molecules. In each molecule, the cyclohexane ring adopts a chair conformation with equatorial orientation of the substituents, and the conformation is stabilized by two intramolecular N—H⋯O hydrogen bonds, forming rings of S(6) graph-set motif. One ethoxy group and one ethyl group are disordered over two sets of sites with refined occupancy ratios of 0.704 (2):0.296 (2) and 0.505 (3):0.495 (3), respectively. In the crystal, a weak intermolecular C—H⋯O hydrogen interaction is observed, involving the O atom of the major component of the disordered ethoxy group. |
format | Text |
id | pubmed-3089325 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30893252011-07-13 rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate Harrad, Mohamed Anoir Boualy, Brahim Ali, Mustapha Ait Firdoussi, Larbi El Rizzoli, Corrado Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(18)H(30)N(2)O(4), contains two independent molecules. In each molecule, the cyclohexane ring adopts a chair conformation with equatorial orientation of the substituents, and the conformation is stabilized by two intramolecular N—H⋯O hydrogen bonds, forming rings of S(6) graph-set motif. One ethoxy group and one ethyl group are disordered over two sets of sites with refined occupancy ratios of 0.704 (2):0.296 (2) and 0.505 (3):0.495 (3), respectively. In the crystal, a weak intermolecular C—H⋯O hydrogen interaction is observed, involving the O atom of the major component of the disordered ethoxy group. International Union of Crystallography 2011-04-29 /pmc/articles/PMC3089325/ /pubmed/21754555 http://dx.doi.org/10.1107/S1600536811015248 Text en © Harrad 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 Harrad, Mohamed Anoir Boualy, Brahim Ali, Mustapha Ait Firdoussi, Larbi El Rizzoli, Corrado rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate |
title |
rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate |
title_full |
rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate |
title_fullStr |
rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate |
title_full_unstemmed |
rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate |
title_short |
rac-Ethyl (2Z)-3-{2-[(Z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate |
title_sort | rac-ethyl (2z)-3-{2-[(z)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089325/ https://www.ncbi.nlm.nih.gov/pubmed/21754555 http://dx.doi.org/10.1107/S1600536811015248 |
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