(2E)-1-(2-Bromo­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one

In the title compound, C(16)H(13)BrO(2), two benzene rings form a dihedral angle of 44.3 (9)°. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains propagating in [010]. The crystal packing also exhibits short Br⋯Br contacts of 3.4787 (8) Å. A comparison of the D...

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Detalles Bibliográficos
Autores principales: Jasinski, Jerry P., Butcher, Ray J., Veena, K., Narayana, B., Yathirajan, H. S.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006708/
https://www.ncbi.nlm.nih.gov/pubmed/21587888
http://dx.doi.org/10.1107/S160053681002218X
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author Jasinski, Jerry P.
Butcher, Ray J.
Veena, K.
Narayana, B.
Yathirajan, H. S.
author_facet Jasinski, Jerry P.
Butcher, Ray J.
Veena, K.
Narayana, B.
Yathirajan, H. S.
author_sort Jasinski, Jerry P.
collection PubMed
description In the title compound, C(16)H(13)BrO(2), two benzene rings form a dihedral angle of 44.3 (9)°. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains propagating in [010]. The crystal packing also exhibits short Br⋯Br contacts of 3.4787 (8) Å. A comparison of the DFT-optimized gas-phase mol­ecular geometry with that in the crystal structure revealed only small differences.
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spelling pubmed-30067082010-12-30 (2E)-1-(2-Bromo­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one Jasinski, Jerry P. Butcher, Ray J. Veena, K. Narayana, B. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(13)BrO(2), two benzene rings form a dihedral angle of 44.3 (9)°. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains propagating in [010]. The crystal packing also exhibits short Br⋯Br contacts of 3.4787 (8) Å. A comparison of the DFT-optimized gas-phase mol­ecular geometry with that in the crystal structure revealed only small differences. International Union of Crystallography 2010-06-16 /pmc/articles/PMC3006708/ /pubmed/21587888 http://dx.doi.org/10.1107/S160053681002218X Text en © Jasinski et al. 2010 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
Jasinski, Jerry P.
Butcher, Ray J.
Veena, K.
Narayana, B.
Yathirajan, H. S.
(2E)-1-(2-Bromo­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title (2E)-1-(2-Bromo­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title_full (2E)-1-(2-Bromo­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title_fullStr (2E)-1-(2-Bromo­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title_full_unstemmed (2E)-1-(2-Bromo­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title_short (2E)-1-(2-Bromo­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title_sort (2e)-1-(2-bromo­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006708/
https://www.ncbi.nlm.nih.gov/pubmed/21587888
http://dx.doi.org/10.1107/S160053681002218X
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