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Crystal structure and Hirshfeld surface analysis of (2E)-1-(3-bromo­phen­yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one

In the title compound, C(15)H(10)BrFO, the mol­ecular structure consists of a 3-bromo­phenyl ring and a 4-fluoro­phenyl ring linked via a prop-2-en-1-one spacer. The 3-bromophenyl and 4-fluorophenyl rings make a dihedral angle of 48.90 (15)°. The mol­ecule has an E configuration about the C=C bond a...

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Autores principales: Atioğlu, Zeliha, Bindya, S., Akkurt, Mehmet, Chidan Kumar, C. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362636/
https://www.ncbi.nlm.nih.gov/pubmed/30800440
http://dx.doi.org/10.1107/S2056989018018418
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author Atioğlu, Zeliha
Bindya, S.
Akkurt, Mehmet
Chidan Kumar, C. S.
author_facet Atioğlu, Zeliha
Bindya, S.
Akkurt, Mehmet
Chidan Kumar, C. S.
author_sort Atioğlu, Zeliha
collection PubMed
description In the title compound, C(15)H(10)BrFO, the mol­ecular structure consists of a 3-bromo­phenyl ring and a 4-fluoro­phenyl ring linked via a prop-2-en-1-one spacer. The 3-bromophenyl and 4-fluorophenyl rings make a dihedral angle of 48.90 (15)°. The mol­ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. In the crystal, mol­ecules are linked by C—H⋯π inter­actions between the bromo­phenyl and fluoro­phenyl rings of mol­ecules, resulting in a two-dimensional layered structure parallel to the ab plane. The mol­ecular packing is stabilized by weak Br⋯H and F⋯H contacts, one of which is on the one side of each layer, and the second is on the other. The inter­molecular inter­actions in the crystal packing were further analysed using Hirshfeld surface analysis, which indicates that the most significant contacts are Cl⋯H/H⋯Cl (20.8%), followed by C⋯H/H⋯C (31.1%), H⋯H (21.7%), Br⋯H/H⋯Br (14.2%), F⋯H/H⋯F (9.8%), O⋯H/H⋯O (9.7%).
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spelling pubmed-63626362019-02-22 Crystal structure and Hirshfeld surface analysis of (2E)-1-(3-bromo­phen­yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one Atioğlu, Zeliha Bindya, S. Akkurt, Mehmet Chidan Kumar, C. S. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(15)H(10)BrFO, the mol­ecular structure consists of a 3-bromo­phenyl ring and a 4-fluoro­phenyl ring linked via a prop-2-en-1-one spacer. The 3-bromophenyl and 4-fluorophenyl rings make a dihedral angle of 48.90 (15)°. The mol­ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. In the crystal, mol­ecules are linked by C—H⋯π inter­actions between the bromo­phenyl and fluoro­phenyl rings of mol­ecules, resulting in a two-dimensional layered structure parallel to the ab plane. The mol­ecular packing is stabilized by weak Br⋯H and F⋯H contacts, one of which is on the one side of each layer, and the second is on the other. The inter­molecular inter­actions in the crystal packing were further analysed using Hirshfeld surface analysis, which indicates that the most significant contacts are Cl⋯H/H⋯Cl (20.8%), followed by C⋯H/H⋯C (31.1%), H⋯H (21.7%), Br⋯H/H⋯Br (14.2%), F⋯H/H⋯F (9.8%), O⋯H/H⋯O (9.7%). International Union of Crystallography 2019-01-04 /pmc/articles/PMC6362636/ /pubmed/30800440 http://dx.doi.org/10.1107/S2056989018018418 Text en © Atioğlu et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Atioğlu, Zeliha
Bindya, S.
Akkurt, Mehmet
Chidan Kumar, C. S.
Crystal structure and Hirshfeld surface analysis of (2E)-1-(3-bromo­phen­yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one
title Crystal structure and Hirshfeld surface analysis of (2E)-1-(3-bromo­phen­yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one
title_full Crystal structure and Hirshfeld surface analysis of (2E)-1-(3-bromo­phen­yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one
title_fullStr Crystal structure and Hirshfeld surface analysis of (2E)-1-(3-bromo­phen­yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of (2E)-1-(3-bromo­phen­yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one
title_short Crystal structure and Hirshfeld surface analysis of (2E)-1-(3-bromo­phen­yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one
title_sort crystal structure and hirshfeld surface analysis of (2e)-1-(3-bromo­phen­yl)-3-(4-fluoro­phen­yl)prop-2-en-1-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362636/
https://www.ncbi.nlm.nih.gov/pubmed/30800440
http://dx.doi.org/10.1107/S2056989018018418
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