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Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
In the title compound, C(16)H(13)BrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)°, and the configuration about the C=C bond is E. In the crystal, the molecules are linked into chains by weak C—H⋯O interactions along the b axis. Successive chains form a zigzag structur...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483568/ https://www.ncbi.nlm.nih.gov/pubmed/37693662 http://dx.doi.org/10.1107/S2056989023007387 |
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author | Akkurt, Mehmet Naghiyev, Farid N. Khrustalev, Victor N. Asadov, Khammed A. Khalilov, Ali N. Bhattarai, Ajaya Mamedov, İbrahim G. |
author_facet | Akkurt, Mehmet Naghiyev, Farid N. Khrustalev, Victor N. Asadov, Khammed A. Khalilov, Ali N. Bhattarai, Ajaya Mamedov, İbrahim G. |
author_sort | Akkurt, Mehmet |
collection | PubMed |
description | In the title compound, C(16)H(13)BrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)°, and the configuration about the C=C bond is E. In the crystal, the molecules are linked into chains by weak C—H⋯O interactions along the b axis. Successive chains form a zigzag structure along the c axis, and these chains are connected to each other by face-to-face π–π stacking interactions along the a axis. These layers, parallel to the (001) plane, are linked by van der Waals interactions, thus consolidating the crystal structure. Hirshfeld surface analysis showed that the most significant contacts in the structure are H⋯H (43.1%), C⋯H/H⋯C (17.4%), Br⋯H/H⋯Br (14.9%), C⋯C (11.9%) and O⋯H/H⋯O (9.8%). |
format | Online Article Text |
id | pubmed-10483568 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-104835682023-09-08 Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one Akkurt, Mehmet Naghiyev, Farid N. Khrustalev, Victor N. Asadov, Khammed A. Khalilov, Ali N. Bhattarai, Ajaya Mamedov, İbrahim G. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(16)H(13)BrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)°, and the configuration about the C=C bond is E. In the crystal, the molecules are linked into chains by weak C—H⋯O interactions along the b axis. Successive chains form a zigzag structure along the c axis, and these chains are connected to each other by face-to-face π–π stacking interactions along the a axis. These layers, parallel to the (001) plane, are linked by van der Waals interactions, thus consolidating the crystal structure. Hirshfeld surface analysis showed that the most significant contacts in the structure are H⋯H (43.1%), C⋯H/H⋯C (17.4%), Br⋯H/H⋯Br (14.9%), C⋯C (11.9%) and O⋯H/H⋯O (9.8%). International Union of Crystallography 2023-08-30 /pmc/articles/PMC10483568/ /pubmed/37693662 http://dx.doi.org/10.1107/S2056989023007387 Text en © Akkurt et al. 2023 https://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. |
spellingShingle | Research Communications Akkurt, Mehmet Naghiyev, Farid N. Khrustalev, Victor N. Asadov, Khammed A. Khalilov, Ali N. Bhattarai, Ajaya Mamedov, İbrahim G. Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
title | Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
title_full | Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
title_fullStr | Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
title_short | Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
title_sort | crystal structure and hirshfeld surface analysis of (2e)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483568/ https://www.ncbi.nlm.nih.gov/pubmed/37693662 http://dx.doi.org/10.1107/S2056989023007387 |
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