(2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one

The mol­ecule of the title compound, C(16)H(11)BrO(3), is essentially planar with a maximum deviation of 0.178 (4) Å and the configuration of the keto group with respect to the olefinic double bond is typically s-cis. In the crystal structure, inter­molecular Br⋯O inter­actions [3.187 (3)Å] give ris...

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Autores principales: Li, Hongqi, Rathore, R. S., Prakash Kamath, K., Yathirajan, H. S., Narayana, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979485/
https://www.ncbi.nlm.nih.gov/pubmed/21579387
http://dx.doi.org/10.1107/S1600536810015552
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author Li, Hongqi
Rathore, R. S.
Prakash Kamath, K.
Yathirajan, H. S.
Narayana, B.
author_facet Li, Hongqi
Rathore, R. S.
Prakash Kamath, K.
Yathirajan, H. S.
Narayana, B.
author_sort Li, Hongqi
collection PubMed
description The mol­ecule of the title compound, C(16)H(11)BrO(3), is essentially planar with a maximum deviation of 0.178 (4) Å and the configuration of the keto group with respect to the olefinic double bond is typically s-cis. In the crystal structure, inter­molecular Br⋯O inter­actions [3.187 (3)Å] give rise to chains parallel to the b axis. Adjacent chains are further linked along the a axis by C—H⋯π inter­actions. The crystal studied was a racemic twin with a 0.595 (13):0.405 (13) ratio.
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spelling pubmed-29794852010-12-30 (2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one Li, Hongqi Rathore, R. S. Prakash Kamath, K. Yathirajan, H. S. Narayana, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecule of the title compound, C(16)H(11)BrO(3), is essentially planar with a maximum deviation of 0.178 (4) Å and the configuration of the keto group with respect to the olefinic double bond is typically s-cis. In the crystal structure, inter­molecular Br⋯O inter­actions [3.187 (3)Å] give rise to chains parallel to the b axis. Adjacent chains are further linked along the a axis by C—H⋯π inter­actions. The crystal studied was a racemic twin with a 0.595 (13):0.405 (13) ratio. International Union of Crystallography 2010-05-08 /pmc/articles/PMC2979485/ /pubmed/21579387 http://dx.doi.org/10.1107/S1600536810015552 Text en © Li 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
Li, Hongqi
Rathore, R. S.
Prakash Kamath, K.
Yathirajan, H. S.
Narayana, B.
(2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one
title (2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one
title_full (2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one
title_fullStr (2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one
title_full_unstemmed (2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one
title_short (2E)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one
title_sort (2e)-1-(1,3-benzodioxol-5-yl)-3-(2-bromo­phen­yl)prop-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979485/
https://www.ncbi.nlm.nih.gov/pubmed/21579387
http://dx.doi.org/10.1107/S1600536810015552
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