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(3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo-1-phenyl­but-1-en-1-yl]amino}­eth­yl)amino]­but-3-en-2-one

In the title compound, C(22)H(18)F(6)N(2)O(2), the five atoms comprising each O=C—C=C—N fragment are almost coplanar (the r.m.s. deviation for the fitted atoms being 0.008 and 0.002 Å) and form a dihedral angle of 47.70 (12)°. The phenyl ring attached to each of the O=C—C=C—N fragments is twisted ou...

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Autores principales: Asiri, Abdullah M., Faidallah, Hassan M., Alamry, Khalid A., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394068/
https://www.ncbi.nlm.nih.gov/pubmed/22798933
http://dx.doi.org/10.1107/S1600536812028875
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author Asiri, Abdullah M.
Faidallah, Hassan M.
Alamry, Khalid A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Asiri, Abdullah M.
Faidallah, Hassan M.
Alamry, Khalid A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Asiri, Abdullah M.
collection PubMed
description In the title compound, C(22)H(18)F(6)N(2)O(2), the five atoms comprising each O=C—C=C—N fragment are almost coplanar (the r.m.s. deviation for the fitted atoms being 0.008 and 0.002 Å) and form a dihedral angle of 47.70 (12)°. The phenyl ring attached to each of the O=C—C=C—N fragments is twisted out of the respective plane with dihedral angles of 64.46 (11) and 61.82 (10)°, respectively. An almost orthogonal relationship for the phenyl rings is indicated by the dihedral angle between them of 78.19 (14)°. The conformation about each ethyl­ene bond is Z, which allows for the formation of intra­molecular N—H⋯O hydrogen bonds which close S(6) loops. The most prominent feature of the crystal packing are N—H⋯O hydrogen bonds that result in supra­molecular chains along the a axis. The F atoms of one –CF(3) groups are disordered over three sets of sites with site-occupation factors of 0.318 (4), 0.360 (10) and 0.322 (9).
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spelling pubmed-33940682012-07-13 (3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo-1-phenyl­but-1-en-1-yl]amino}­eth­yl)amino]­but-3-en-2-one Asiri, Abdullah M. Faidallah, Hassan M. Alamry, Khalid A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(22)H(18)F(6)N(2)O(2), the five atoms comprising each O=C—C=C—N fragment are almost coplanar (the r.m.s. deviation for the fitted atoms being 0.008 and 0.002 Å) and form a dihedral angle of 47.70 (12)°. The phenyl ring attached to each of the O=C—C=C—N fragments is twisted out of the respective plane with dihedral angles of 64.46 (11) and 61.82 (10)°, respectively. An almost orthogonal relationship for the phenyl rings is indicated by the dihedral angle between them of 78.19 (14)°. The conformation about each ethyl­ene bond is Z, which allows for the formation of intra­molecular N—H⋯O hydrogen bonds which close S(6) loops. The most prominent feature of the crystal packing are N—H⋯O hydrogen bonds that result in supra­molecular chains along the a axis. The F atoms of one –CF(3) groups are disordered over three sets of sites with site-occupation factors of 0.318 (4), 0.360 (10) and 0.322 (9). International Union of Crystallography 2012-06-30 /pmc/articles/PMC3394068/ /pubmed/22798933 http://dx.doi.org/10.1107/S1600536812028875 Text en © Asiri et al. 2012 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
Asiri, Abdullah M.
Faidallah, Hassan M.
Alamry, Khalid A.
Ng, Seik Weng
Tiekink, Edward R. T.
(3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo-1-phenyl­but-1-en-1-yl]amino}­eth­yl)amino]­but-3-en-2-one
title (3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo-1-phenyl­but-1-en-1-yl]amino}­eth­yl)amino]­but-3-en-2-one
title_full (3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo-1-phenyl­but-1-en-1-yl]amino}­eth­yl)amino]­but-3-en-2-one
title_fullStr (3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo-1-phenyl­but-1-en-1-yl]amino}­eth­yl)amino]­but-3-en-2-one
title_full_unstemmed (3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo-1-phenyl­but-1-en-1-yl]amino}­eth­yl)amino]­but-3-en-2-one
title_short (3Z)-1,1,1-Trifluoro-4-phenyl-4-[(2-{[(1Z)-4,4,4-trifluoro-3-oxo-1-phenyl­but-1-en-1-yl]amino}­eth­yl)amino]­but-3-en-2-one
title_sort (3z)-1,1,1-trifluoro-4-phenyl-4-[(2-{[(1z)-4,4,4-trifluoro-3-oxo-1-phenyl­but-1-en-1-yl]amino}­eth­yl)amino]­but-3-en-2-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394068/
https://www.ncbi.nlm.nih.gov/pubmed/22798933
http://dx.doi.org/10.1107/S1600536812028875
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