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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...

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Autores principales: Harrad, Mohamed Anoir, Boualy, Brahim, Ali, Mustapha Ait, Firdoussi, Larbi El, Rizzoli, Corrado
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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