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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3344105 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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