Cargando…
(2E)-3-(4-Fluorophenyl)-1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]prop-2-en-1-one
With respect to the triazole ring in the title compound, C(19)H(16)FN(3)O, the p-tolyl ring is inclined [dihedral angle = 51.79 (11)°], whereas the chalcone residue is almost coplanar [O—C—C—N and C—C—C—C torsion angles = −178.71 (19) and 178.42 (18)°, respectively]. The conformation about the C=C b...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647839/ https://www.ncbi.nlm.nih.gov/pubmed/23723805 http://dx.doi.org/10.1107/S1600536813008246 |
_version_ | 1782268787595149312 |
---|---|
author | Abdel-Wahab, Bakr F. Mohamed, Hanan A. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Abdel-Wahab, Bakr F. Mohamed, Hanan A. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Abdel-Wahab, Bakr F. |
collection | PubMed |
description | With respect to the triazole ring in the title compound, C(19)H(16)FN(3)O, the p-tolyl ring is inclined [dihedral angle = 51.79 (11)°], whereas the chalcone residue is almost coplanar [O—C—C—N and C—C—C—C torsion angles = −178.71 (19) and 178.42 (18)°, respectively]. The conformation about the C=C bond [1.328 (3) Å] is E, and the triazole methyl group and the carbonyl O atom are syn. In the crystal, centrosymmetrically related molecules are connected by π–π interactions between the triazole and p-tolyl rings [centroid–centroid distance = 3.6599 (12) Å] and these are linked into a three-dimensional architecture by C—H⋯N and C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-3647839 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36478392013-05-30 (2E)-3-(4-Fluorophenyl)-1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]prop-2-en-1-one Abdel-Wahab, Bakr F. Mohamed, Hanan A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers With respect to the triazole ring in the title compound, C(19)H(16)FN(3)O, the p-tolyl ring is inclined [dihedral angle = 51.79 (11)°], whereas the chalcone residue is almost coplanar [O—C—C—N and C—C—C—C torsion angles = −178.71 (19) and 178.42 (18)°, respectively]. The conformation about the C=C bond [1.328 (3) Å] is E, and the triazole methyl group and the carbonyl O atom are syn. In the crystal, centrosymmetrically related molecules are connected by π–π interactions between the triazole and p-tolyl rings [centroid–centroid distance = 3.6599 (12) Å] and these are linked into a three-dimensional architecture by C—H⋯N and C—H⋯π interactions. International Union of Crystallography 2013-04-05 /pmc/articles/PMC3647839/ /pubmed/23723805 http://dx.doi.org/10.1107/S1600536813008246 Text en © Abdel-Wahab 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 Abdel-Wahab, Bakr F. Mohamed, Hanan A. Ng, Seik Weng Tiekink, Edward R. T. (2E)-3-(4-Fluorophenyl)-1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]prop-2-en-1-one |
title | (2E)-3-(4-Fluorophenyl)-1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]prop-2-en-1-one
|
title_full | (2E)-3-(4-Fluorophenyl)-1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]prop-2-en-1-one
|
title_fullStr | (2E)-3-(4-Fluorophenyl)-1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]prop-2-en-1-one
|
title_full_unstemmed | (2E)-3-(4-Fluorophenyl)-1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]prop-2-en-1-one
|
title_short | (2E)-3-(4-Fluorophenyl)-1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]prop-2-en-1-one
|
title_sort | (2e)-3-(4-fluorophenyl)-1-[5-methyl-1-(4-methylphenyl)-1h-1,2,3-triazol-4-yl]prop-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647839/ https://www.ncbi.nlm.nih.gov/pubmed/23723805 http://dx.doi.org/10.1107/S1600536813008246 |
work_keys_str_mv | AT abdelwahabbakrf 2e34fluorophenyl15methyl14methylphenyl1h123triazol4ylprop2en1one AT mohamedhanana 2e34fluorophenyl15methyl14methylphenyl1h123triazol4ylprop2en1one AT ngseikweng 2e34fluorophenyl15methyl14methylphenyl1h123triazol4ylprop2en1one AT tiekinkedwardrt 2e34fluorophenyl15methyl14methylphenyl1h123triazol4ylprop2en1one |