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(2E)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one
The pyrazole ring in the title compound, C(25)H(19)BrN(2)O(2), is almost planar (r.m.s. deviation = 0.003 Å) and forms dihedral angles of 7.56 (13) and 56.48 (13)° with the N- and C-bound benzene rings, respectively. The prop-2-en-1-one residue has an E conformation about the C=C double bond [1.328 ...
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/PMC3770408/ https://www.ncbi.nlm.nih.gov/pubmed/24046693 http://dx.doi.org/10.1107/S1600536813016838 |
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author | Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Prasath, R. |
collection | PubMed |
description | The pyrazole ring in the title compound, C(25)H(19)BrN(2)O(2), is almost planar (r.m.s. deviation = 0.003 Å) and forms dihedral angles of 7.56 (13) and 56.48 (13)° with the N- and C-bound benzene rings, respectively. The prop-2-en-1-one residue has an E conformation about the C=C double bond [1.328 (4) Å] and is almost coplanar with the pyrazole ring [C—C—C—C torsion angle = −174.4 (3)°]. A twist between the prop-2-en-1-one unit and the terminal benzene ring is evident [C—C—C—C torsion angle = −15.4 (4)°]. In the crystal, molecules are consolidated into a three-dimensional architecture by C—H⋯O, C—H⋯π and π–π [centroid–centroid separation = 3.7597 (16) Å] interactions. |
format | Online Article Text |
id | pubmed-3770408 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37704082013-09-17 (2E)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The pyrazole ring in the title compound, C(25)H(19)BrN(2)O(2), is almost planar (r.m.s. deviation = 0.003 Å) and forms dihedral angles of 7.56 (13) and 56.48 (13)° with the N- and C-bound benzene rings, respectively. The prop-2-en-1-one residue has an E conformation about the C=C double bond [1.328 (4) Å] and is almost coplanar with the pyrazole ring [C—C—C—C torsion angle = −174.4 (3)°]. A twist between the prop-2-en-1-one unit and the terminal benzene ring is evident [C—C—C—C torsion angle = −15.4 (4)°]. In the crystal, molecules are consolidated into a three-dimensional architecture by C—H⋯O, C—H⋯π and π–π [centroid–centroid separation = 3.7597 (16) Å] interactions. International Union of Crystallography 2013-06-22 /pmc/articles/PMC3770408/ /pubmed/24046693 http://dx.doi.org/10.1107/S1600536813016838 Text en © Prasath 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 Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. (2E)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one |
title | (2E)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one |
title_full | (2E)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one |
title_fullStr | (2E)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one |
title_full_unstemmed | (2E)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one |
title_short | (2E)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one |
title_sort | (2e)-1-(4-bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1h-pyrazol-4-yl]prop-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770408/ https://www.ncbi.nlm.nih.gov/pubmed/24046693 http://dx.doi.org/10.1107/S1600536813016838 |
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