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Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one]
In the title compound, C(30)H(20)Cl(2)O(2)Se, the C—Se—C angle is 99.0 (2)°, with the dihedral angle between the planes of the attached benzene rings being 79.1 (3)°. The average endocyclic angles (Se—C—C) facing the Se atom are 122.1 (5) and 122.2 (5)°. The Se atom is essentially coplanar with the...
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/PMC6829715/ https://www.ncbi.nlm.nih.gov/pubmed/31709097 http://dx.doi.org/10.1107/S2056989019014038 |
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author | Bouraoui, Hazem Mechehoud, Youcef Chetioui, Souheyla Touzani, Rachid Medjani, Meriem Benmilat, Ahmed Boudjada, Ali |
author_facet | Bouraoui, Hazem Mechehoud, Youcef Chetioui, Souheyla Touzani, Rachid Medjani, Meriem Benmilat, Ahmed Boudjada, Ali |
author_sort | Bouraoui, Hazem |
collection | PubMed |
description | In the title compound, C(30)H(20)Cl(2)O(2)Se, the C—Se—C angle is 99.0 (2)°, with the dihedral angle between the planes of the attached benzene rings being 79.1 (3)°. The average endocyclic angles (Se—C—C) facing the Se atom are 122.1 (5) and 122.2 (5)°. The Se atom is essentially coplanar with the attached benzene rings, deviating by 0.075 (1) and 0.091 (1) Å. In the two phenylene(4-chlorophenyl)prop-2-en-1-one units, the benzene rings are inclined to each other by 44.6 (3) and 7.8 (3)°. In the crystal, the molecules stack up the a axis, forming layers parallel to the ac plane. There are no significant classical intermolecular interactions present. Hirshfeld surface analysis, two-dimensional fingerprint plots and the molecular electrostatic potential surface were used to analyse the crystal packing. The Hirshfeld surface analysis suggests that the most significant contributions to the crystal packing are by C⋯H/H⋯C contacts (17.7%). |
format | Online Article Text |
id | pubmed-6829715 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-68297152019-11-08 Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one] Bouraoui, Hazem Mechehoud, Youcef Chetioui, Souheyla Touzani, Rachid Medjani, Meriem Benmilat, Ahmed Boudjada, Ali Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(30)H(20)Cl(2)O(2)Se, the C—Se—C angle is 99.0 (2)°, with the dihedral angle between the planes of the attached benzene rings being 79.1 (3)°. The average endocyclic angles (Se—C—C) facing the Se atom are 122.1 (5) and 122.2 (5)°. The Se atom is essentially coplanar with the attached benzene rings, deviating by 0.075 (1) and 0.091 (1) Å. In the two phenylene(4-chlorophenyl)prop-2-en-1-one units, the benzene rings are inclined to each other by 44.6 (3) and 7.8 (3)°. In the crystal, the molecules stack up the a axis, forming layers parallel to the ac plane. There are no significant classical intermolecular interactions present. Hirshfeld surface analysis, two-dimensional fingerprint plots and the molecular electrostatic potential surface were used to analyse the crystal packing. The Hirshfeld surface analysis suggests that the most significant contributions to the crystal packing are by C⋯H/H⋯C contacts (17.7%). International Union of Crystallography 2019-10-22 /pmc/articles/PMC6829715/ /pubmed/31709097 http://dx.doi.org/10.1107/S2056989019014038 Text en © Bouraoui 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 Bouraoui, Hazem Mechehoud, Youcef Chetioui, Souheyla Touzani, Rachid Medjani, Meriem Benmilat, Ahmed Boudjada, Ali Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one] |
title | Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one] |
title_full | Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one] |
title_fullStr | Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one] |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one] |
title_short | Crystal structure and Hirshfeld surface analysis of (2E,2′E)-1,1′-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one] |
title_sort | crystal structure and hirshfeld surface analysis of (2e,2′e)-1,1′-[selenobis(4,1-phenylene)]bis[3-(4-chlorophenyl)prop-2-en-1-one] |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6829715/ https://www.ncbi.nlm.nih.gov/pubmed/31709097 http://dx.doi.org/10.1107/S2056989019014038 |
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