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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...

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Autores principales: Wong, Qin Ai, Chia, Tze Shyang, Kwong, Huey Chong, Chidan Kumar, C. S., Quah, Ching Kheng, Arafath, Md. Azharul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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.
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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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