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(2E)-1-(2,6-Dichloro-3-fluoro­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one

There are two independent mol­ecules in the asymmetric unit of the title compound, C(16)H(11)Cl(2)FO(2). The F atom equally populates both meta positions of the 6-dichloro-3-fluoro­phenyl ring in each mol­ecule, resulting in 0.5 occupancy for both the F and H atoms in these positions. The dihedral a...

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Autores principales: Praveen, A. S., Jasinski, Jerry P., Golen, James A., Yathirajan, H. S., Narayana, B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344105/
https://www.ncbi.nlm.nih.gov/pubmed/22606108
http://dx.doi.org/10.1107/S1600536812011841
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author Praveen, A. S.
Jasinski, Jerry P.
Golen, James A.
Yathirajan, H. S.
Narayana, B.
author_facet Praveen, A. S.
Jasinski, Jerry P.
Golen, James A.
Yathirajan, H. S.
Narayana, B.
author_sort Praveen, A. S.
collection PubMed
description There are two independent mol­ecules in the asymmetric unit of the title compound, C(16)H(11)Cl(2)FO(2). The F atom equally populates both meta positions of the 6-dichloro-3-fluoro­phenyl ring in each mol­ecule, resulting in 0.5 occupancy for both the F and H atoms in these positions. The dihedral angle between the mean planes of the benzene rings are 77.5 (2) and 89.8 (8)°in the two mol­ecules. In the crystal, weak C—H⋯F and C—H⋯O inter­actions involving the half-occupied H and F atoms are observed. Weak π–π stacking inter­actions [centroid—centroid distance = 3.150 (2) Å] also contribute to the crystal stability.
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spelling pubmed-33441052012-05-17 (2E)-1-(2,6-Dichloro-3-fluoro­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one Praveen, A. S. Jasinski, Jerry P. Golen, James A. Yathirajan, H. S. Narayana, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two independent mol­ecules in the asymmetric unit of the title compound, C(16)H(11)Cl(2)FO(2). The F atom equally populates both meta positions of the 6-dichloro-3-fluoro­phenyl ring in each mol­ecule, resulting in 0.5 occupancy for both the F and H atoms in these positions. The dihedral angle between the mean planes of the benzene rings are 77.5 (2) and 89.8 (8)°in the two mol­ecules. In the crystal, weak C—H⋯F and C—H⋯O inter­actions involving the half-occupied H and F atoms are observed. Weak π–π stacking inter­actions [centroid—centroid distance = 3.150 (2) Å] also contribute to the crystal stability. International Union of Crystallography 2012-03-24 /pmc/articles/PMC3344105/ /pubmed/22606108 http://dx.doi.org/10.1107/S1600536812011841 Text en © Praveen et al. 2012 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
Praveen, A. S.
Jasinski, Jerry P.
Golen, James A.
Yathirajan, H. S.
Narayana, B.
(2E)-1-(2,6-Dichloro-3-fluoro­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title (2E)-1-(2,6-Dichloro-3-fluoro­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title_full (2E)-1-(2,6-Dichloro-3-fluoro­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title_fullStr (2E)-1-(2,6-Dichloro-3-fluoro­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title_full_unstemmed (2E)-1-(2,6-Dichloro-3-fluoro­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title_short (2E)-1-(2,6-Dichloro-3-fluoro­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
title_sort (2e)-1-(2,6-dichloro-3-fluoro­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344105/
https://www.ncbi.nlm.nih.gov/pubmed/22606108
http://dx.doi.org/10.1107/S1600536812011841
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