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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...

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Autores principales: Bouraoui, Hazem, Mechehoud, Youcef, Chetioui, Souheyla, Touzani, Rachid, Medjani, Meriem, Benmilat, Ahmed, Boudjada, Ali
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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%).
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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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