(2E)-3-(3-Bromo­phen­yl)-1-(4-chloro­phen­yl)prop-2-en-1-one: a non-merohedral twin

In the title compound, C(15)H(10)BrClO, the mol­ecule adopts an E configuration with respect to the C=C double bond and the dihedral angle between the aromatic ring planes is 3.98 (16)°. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds are seen and weak π–π stacking [centroid–centroid...

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Detalles Bibliográficos
Autores principales: Li, Hongqi, Kamath, K. Prakash, Narayana, B., Yathirajan, H. S., Harrison, William T. A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977300/
https://www.ncbi.nlm.nih.gov/pubmed/21583601
http://dx.doi.org/10.1107/S1600536809027615
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author Li, Hongqi
Kamath, K. Prakash
Narayana, B.
Yathirajan, H. S.
Harrison, William T. A.
author_facet Li, Hongqi
Kamath, K. Prakash
Narayana, B.
Yathirajan, H. S.
Harrison, William T. A.
author_sort Li, Hongqi
collection PubMed
description In the title compound, C(15)H(10)BrClO, the mol­ecule adopts an E configuration with respect to the C=C double bond and the dihedral angle between the aromatic ring planes is 3.98 (16)°. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds are seen and weak π–π stacking [centroid–centroid separation = 3.8776 (19) Å] may further consolidate the structure. The crystal studied was a non-merohedral twin with a ratio of the twin components of 0.9093 (13):0.0907 (13). The twin operation is a twofold rotation around c*.
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spelling pubmed-29773002010-12-30 (2E)-3-(3-Bromo­phen­yl)-1-(4-chloro­phen­yl)prop-2-en-1-one: a non-merohedral twin Li, Hongqi Kamath, K. Prakash Narayana, B. Yathirajan, H. S. Harrison, William T. A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(10)BrClO, the mol­ecule adopts an E configuration with respect to the C=C double bond and the dihedral angle between the aromatic ring planes is 3.98 (16)°. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds are seen and weak π–π stacking [centroid–centroid separation = 3.8776 (19) Å] may further consolidate the structure. The crystal studied was a non-merohedral twin with a ratio of the twin components of 0.9093 (13):0.0907 (13). The twin operation is a twofold rotation around c*. International Union of Crystallography 2009-07-18 /pmc/articles/PMC2977300/ /pubmed/21583601 http://dx.doi.org/10.1107/S1600536809027615 Text en © Li 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
Li, Hongqi
Kamath, K. Prakash
Narayana, B.
Yathirajan, H. S.
Harrison, William T. A.
(2E)-3-(3-Bromo­phen­yl)-1-(4-chloro­phen­yl)prop-2-en-1-one: a non-merohedral twin
title (2E)-3-(3-Bromo­phen­yl)-1-(4-chloro­phen­yl)prop-2-en-1-one: a non-merohedral twin
title_full (2E)-3-(3-Bromo­phen­yl)-1-(4-chloro­phen­yl)prop-2-en-1-one: a non-merohedral twin
title_fullStr (2E)-3-(3-Bromo­phen­yl)-1-(4-chloro­phen­yl)prop-2-en-1-one: a non-merohedral twin
title_full_unstemmed (2E)-3-(3-Bromo­phen­yl)-1-(4-chloro­phen­yl)prop-2-en-1-one: a non-merohedral twin
title_short (2E)-3-(3-Bromo­phen­yl)-1-(4-chloro­phen­yl)prop-2-en-1-one: a non-merohedral twin
title_sort (2e)-3-(3-bromo­phen­yl)-1-(4-chloro­phen­yl)prop-2-en-1-one: a non-merohedral twin
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977300/
https://www.ncbi.nlm.nih.gov/pubmed/21583601
http://dx.doi.org/10.1107/S1600536809027615
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