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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...

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Autores principales: Akkurt, Mehmet, Naghiyev, Farid N., Khrustalev, Victor N., Asadov, Khammed A., Khalilov, Ali N., Bhattarai, Ajaya, Mamedov, İbrahim G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
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%).
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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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