Cargando…
(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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782237815913840640 |
---|---|
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). |
format | Online Article Text |
id | pubmed-3394068 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT asiriabdullahm 3z111trifluoro4phenyl421z444trifluoro3oxo1phenylbut1en1ylaminoethylaminobut3en2one AT faidallahhassanm 3z111trifluoro4phenyl421z444trifluoro3oxo1phenylbut1en1ylaminoethylaminobut3en2one AT alamrykhalida 3z111trifluoro4phenyl421z444trifluoro3oxo1phenylbut1en1ylaminoethylaminobut3en2one AT ngseikweng 3z111trifluoro4phenyl421z444trifluoro3oxo1phenylbut1en1ylaminoethylaminobut3en2one AT tiekinkedwardrt 3z111trifluoro4phenyl421z444trifluoro3oxo1phenylbut1en1ylaminoethylaminobut3en2one |