Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chloro­phen­yl)-2-oxoeth­oxy]phen­yl}ethen­yl)-4,5-di­hydro­pyridazin-3(2H)-one

The pyridazine ring in the title compound, C(20)H(17)ClN(2)O(3), adopts a screw-boat conformation. The whole mol­ecule is flattened, the dihedral angles subtended by the least-squares plane of the central aromatic ring with those of the terminal benzene and pyridazine rings being 15.18 (19) and 11.2...

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Autores principales: Daoui, Said, Muwafaq, Israa, Çınar, Emine Berrin, Abudunia, Abdulmalik, Dege, Necmi, Benchat, Noureddine, Karrouchi, Khalid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8739192/
https://www.ncbi.nlm.nih.gov/pubmed/35079414
http://dx.doi.org/10.1107/S205698902101238X
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author Daoui, Said
Muwafaq, Israa
Çınar, Emine Berrin
Abudunia, Abdulmalik
Dege, Necmi
Benchat, Noureddine
Karrouchi, Khalid
author_facet Daoui, Said
Muwafaq, Israa
Çınar, Emine Berrin
Abudunia, Abdulmalik
Dege, Necmi
Benchat, Noureddine
Karrouchi, Khalid
author_sort Daoui, Said
collection PubMed
description The pyridazine ring in the title compound, C(20)H(17)ClN(2)O(3), adopts a screw-boat conformation. The whole mol­ecule is flattened, the dihedral angles subtended by the least-squares plane of the central aromatic ring with those of the terminal benzene and pyridazine rings being 15.18 (19) and 11.23 (19)°, respectively. In the crystal, the mol­ecules are linked by pairs of N—H⋯O bonds into centrosymmetric dimers and by C—H⋯π contacts into columns. The results of the Hirshfeld surface analysis show that the most prominent inter­actions are H⋯H, accounting for 36.5% of overall crystal packing, and H⋯O/O⋯H (18.6% contribution) contacts.
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spelling pubmed-87391922022-01-24 Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chloro­phen­yl)-2-oxoeth­oxy]phen­yl}ethen­yl)-4,5-di­hydro­pyridazin-3(2H)-one Daoui, Said Muwafaq, Israa Çınar, Emine Berrin Abudunia, Abdulmalik Dege, Necmi Benchat, Noureddine Karrouchi, Khalid Acta Crystallogr E Crystallogr Commun Research Communications The pyridazine ring in the title compound, C(20)H(17)ClN(2)O(3), adopts a screw-boat conformation. The whole mol­ecule is flattened, the dihedral angles subtended by the least-squares plane of the central aromatic ring with those of the terminal benzene and pyridazine rings being 15.18 (19) and 11.23 (19)°, respectively. In the crystal, the mol­ecules are linked by pairs of N—H⋯O bonds into centrosymmetric dimers and by C—H⋯π contacts into columns. The results of the Hirshfeld surface analysis show that the most prominent inter­actions are H⋯H, accounting for 36.5% of overall crystal packing, and H⋯O/O⋯H (18.6% contribution) contacts. International Union of Crystallography 2022-01-01 /pmc/articles/PMC8739192/ /pubmed/35079414 http://dx.doi.org/10.1107/S205698902101238X Text en © Daoui et al. 2022 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
Daoui, Said
Muwafaq, Israa
Çınar, Emine Berrin
Abudunia, Abdulmalik
Dege, Necmi
Benchat, Noureddine
Karrouchi, Khalid
Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chloro­phen­yl)-2-oxoeth­oxy]phen­yl}ethen­yl)-4,5-di­hydro­pyridazin-3(2H)-one
title Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chloro­phen­yl)-2-oxoeth­oxy]phen­yl}ethen­yl)-4,5-di­hydro­pyridazin-3(2H)-one
title_full Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chloro­phen­yl)-2-oxoeth­oxy]phen­yl}ethen­yl)-4,5-di­hydro­pyridazin-3(2H)-one
title_fullStr Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chloro­phen­yl)-2-oxoeth­oxy]phen­yl}ethen­yl)-4,5-di­hydro­pyridazin-3(2H)-one
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chloro­phen­yl)-2-oxoeth­oxy]phen­yl}ethen­yl)-4,5-di­hydro­pyridazin-3(2H)-one
title_short Crystal structure and Hirshfeld surface analysis of 6-((E)-2-{4-[2-(4-chloro­phen­yl)-2-oxoeth­oxy]phen­yl}ethen­yl)-4,5-di­hydro­pyridazin-3(2H)-one
title_sort crystal structure and hirshfeld surface analysis of 6-((e)-2-{4-[2-(4-chloro­phen­yl)-2-oxoeth­oxy]phen­yl}ethen­yl)-4,5-di­hydro­pyridazin-3(2h)-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8739192/
https://www.ncbi.nlm.nih.gov/pubmed/35079414
http://dx.doi.org/10.1107/S205698902101238X
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