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(E)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one
In the title compound, C(21)H(15)BrO, there are two planar rings connected through a conjugated double bond. As it crystallizes in a non-centrosymmetric space group it can be regarded as a good candidate for non-linear optical applications. The molecule adopts an E configuration and the C—C=C—C tor...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971314/ https://www.ncbi.nlm.nih.gov/pubmed/21578444 http://dx.doi.org/10.1107/S1600536809043384 |
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author | Dutkiewicz, Grzegorz Chidan Kumar, C. S. Yathirajan, H. S. Narayana, B. Kubicki, Maciej |
author_facet | Dutkiewicz, Grzegorz Chidan Kumar, C. S. Yathirajan, H. S. Narayana, B. Kubicki, Maciej |
author_sort | Dutkiewicz, Grzegorz |
collection | PubMed |
description | In the title compound, C(21)H(15)BrO, there are two planar rings connected through a conjugated double bond. As it crystallizes in a non-centrosymmetric space group it can be regarded as a good candidate for non-linear optical applications. The molecule adopts an E configuration and the C—C=C—C torsion angle is 177.1 (4)°. The overall conformation of the compound may be described by the values of dihedral angles between the approximately planar parts. The terminal rings are twisted by an angle of 51.52 (9)°, while the biphenyl part is almost planar, the dihedral angle between the planes of the rings being 4.44 (17)°. The unit cell has one long dimension, above 35 Å, characteristic also of a majority of related compounds. The molecules pack head-to-tail along this direction. C—H⋯π interactions are observed in the crystal structure. |
format | Text |
id | pubmed-2971314 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29713142010-12-30 (E)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one Dutkiewicz, Grzegorz Chidan Kumar, C. S. Yathirajan, H. S. Narayana, B. Kubicki, Maciej Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(15)BrO, there are two planar rings connected through a conjugated double bond. As it crystallizes in a non-centrosymmetric space group it can be regarded as a good candidate for non-linear optical applications. The molecule adopts an E configuration and the C—C=C—C torsion angle is 177.1 (4)°. The overall conformation of the compound may be described by the values of dihedral angles between the approximately planar parts. The terminal rings are twisted by an angle of 51.52 (9)°, while the biphenyl part is almost planar, the dihedral angle between the planes of the rings being 4.44 (17)°. The unit cell has one long dimension, above 35 Å, characteristic also of a majority of related compounds. The molecules pack head-to-tail along this direction. C—H⋯π interactions are observed in the crystal structure. International Union of Crystallography 2009-10-28 /pmc/articles/PMC2971314/ /pubmed/21578444 http://dx.doi.org/10.1107/S1600536809043384 Text en © Dutkiewicz et al. 2009 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 Dutkiewicz, Grzegorz Chidan Kumar, C. S. Yathirajan, H. S. Narayana, B. Kubicki, Maciej (E)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one |
title | (E)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one |
title_full | (E)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one |
title_fullStr | (E)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one |
title_full_unstemmed | (E)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one |
title_short | (E)-3-(Biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one |
title_sort | (e)-3-(biphenyl-4-yl)-1-(3-bromophenyl)prop-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971314/ https://www.ncbi.nlm.nih.gov/pubmed/21578444 http://dx.doi.org/10.1107/S1600536809043384 |
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