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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...

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Autores principales: Dutkiewicz, Grzegorz, Chidan Kumar, C. S., Yathirajan, H. S., Narayana, B., Kubicki, Maciej
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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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