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Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
The molecular structure of the title chalcone derivative, C(15)H(10)FNO(3), is nearly planar and the molecule adopts a trans configuration with respect to the C=C double bond. The nitro group is nearly coplanar with the attached benzene ring, which is nearly parallel to the second benzene ring. In...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6323869/ https://www.ncbi.nlm.nih.gov/pubmed/30713733 http://dx.doi.org/10.1107/S2056989018017450 |
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author | Wong, Qin Ai Chia, Tze Shyang Kwong, Huey Chong Chidan Kumar, C. S. Quah, Ching Kheng Arafath, Md. Azharul |
author_facet | Wong, Qin Ai Chia, Tze Shyang Kwong, Huey Chong Chidan Kumar, C. S. Quah, Ching Kheng Arafath, Md. Azharul |
author_sort | Wong, Qin Ai |
collection | PubMed |
description | The molecular structure of the title chalcone derivative, C(15)H(10)FNO(3), is nearly planar and the molecule adopts a trans configuration with respect to the C=C double bond. The nitro group is nearly coplanar with the attached benzene ring, which is nearly parallel to the second benzene ring. In the crystal, molecules are connected by pairs of weak intermolecular C—H⋯O hydrogen bonds into inversion dimers. The dimers are further linked by another C—H⋯O hydrogen bond and a C—H⋯F hydrogen bond into sheets parallel to (104). π–π interactions occur between the sheets, with a centroid–centroid distance of 3.8860 (11) Å. Hirshfeld surface analysis was used to investigate and quantify the intermolecular interactions. |
format | Online Article Text |
id | pubmed-6323869 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-63238692019-02-01 Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one Wong, Qin Ai Chia, Tze Shyang Kwong, Huey Chong Chidan Kumar, C. S. Quah, Ching Kheng Arafath, Md. Azharul Acta Crystallogr E Crystallogr Commun Research Communications The molecular structure of the title chalcone derivative, C(15)H(10)FNO(3), is nearly planar and the molecule adopts a trans configuration with respect to the C=C double bond. The nitro group is nearly coplanar with the attached benzene ring, which is nearly parallel to the second benzene ring. In the crystal, molecules are connected by pairs of weak intermolecular C—H⋯O hydrogen bonds into inversion dimers. The dimers are further linked by another C—H⋯O hydrogen bond and a C—H⋯F hydrogen bond into sheets parallel to (104). π–π interactions occur between the sheets, with a centroid–centroid distance of 3.8860 (11) Å. Hirshfeld surface analysis was used to investigate and quantify the intermolecular interactions. International Union of Crystallography 2019-01-01 /pmc/articles/PMC6323869/ /pubmed/30713733 http://dx.doi.org/10.1107/S2056989018017450 Text en © Wong et al. 2019 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/ |
spellingShingle | Research Communications Wong, Qin Ai Chia, Tze Shyang Kwong, Huey Chong Chidan Kumar, C. S. Quah, Ching Kheng Arafath, Md. Azharul Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one |
title | Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one |
title_full | Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one |
title_fullStr | Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one |
title_short | Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one |
title_sort | crystal structure and hirshfeld surface analysis of a chalcone derivative: (e)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6323869/ https://www.ncbi.nlm.nih.gov/pubmed/30713733 http://dx.doi.org/10.1107/S2056989018017450 |
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