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(2E)-1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
Two independent molecules comprise the asymmetric unit of the title compound, C(24)H(26)N(4)O. The major difference between them is found in the relative orientation of the triazole-bound p-tolyl group which have the opposite sense of twist [N—N—C—C torsion angles = 55.8 (3) and −49.8 (3)°]. The ch...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647840/ https://www.ncbi.nlm.nih.gov/pubmed/23723806 http://dx.doi.org/10.1107/S1600536813008258 |
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author | Abdel-Wahab, Bakr F. Abdel-Latif, Ehab Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Abdel-Wahab, Bakr F. Abdel-Latif, Ehab Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Abdel-Wahab, Bakr F. |
collection | PubMed |
description | Two independent molecules comprise the asymmetric unit of the title compound, C(24)H(26)N(4)O. The major difference between them is found in the relative orientation of the triazole-bound p-tolyl group which have the opposite sense of twist [N—N—C—C torsion angles = 55.8 (3) and −49.8 (3)°]. The chalcone residue is almost coplanar with the triazole ring [N—C—C—O and C—C—C—C torsion angles = −178.9 (2) and −178.5 (2)°, respectively; cf. 177.9 (3) and 168.5 (3)°, respectively, in the second molecule]. The conformation about each C=C double bond is E and in each case the triazole methyl group is syn to the carbonyl O atom. In the crystal, molecules aggregate into layers parallel to (-113). The first independent molecule self-associates into a layer via C—H⋯O and C—H⋯π interactions. By contrast, layers comprising the second independent molecule do not feature specific interactions between molecules. The global crystal packing comprises alternating layers. |
format | Online Article Text |
id | pubmed-3647840 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36478402013-05-30 (2E)-1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one Abdel-Wahab, Bakr F. Abdel-Latif, Ehab Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers Two independent molecules comprise the asymmetric unit of the title compound, C(24)H(26)N(4)O. The major difference between them is found in the relative orientation of the triazole-bound p-tolyl group which have the opposite sense of twist [N—N—C—C torsion angles = 55.8 (3) and −49.8 (3)°]. The chalcone residue is almost coplanar with the triazole ring [N—C—C—O and C—C—C—C torsion angles = −178.9 (2) and −178.5 (2)°, respectively; cf. 177.9 (3) and 168.5 (3)°, respectively, in the second molecule]. The conformation about each C=C double bond is E and in each case the triazole methyl group is syn to the carbonyl O atom. In the crystal, molecules aggregate into layers parallel to (-113). The first independent molecule self-associates into a layer via C—H⋯O and C—H⋯π interactions. By contrast, layers comprising the second independent molecule do not feature specific interactions between molecules. The global crystal packing comprises alternating layers. International Union of Crystallography 2013-04-05 /pmc/articles/PMC3647840/ /pubmed/23723806 http://dx.doi.org/10.1107/S1600536813008258 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. Abdel-Latif, Ehab Ng, Seik Weng Tiekink, Edward R. T. (2E)-1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one |
title | (2E)-1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
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title_full | (2E)-1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
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title_fullStr | (2E)-1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
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title_full_unstemmed | (2E)-1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
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title_short | (2E)-1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one
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title_sort | (2e)-1-[5-methyl-1-(4-methylphenyl)-1h-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647840/ https://www.ncbi.nlm.nih.gov/pubmed/23723806 http://dx.doi.org/10.1107/S1600536813008258 |
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