Ethyl 2-[4-(4-meth­oxy­benz­yl)-3-methyl-6-oxopyridazin-1-yl]acetate

In the title mol­ecule, C(17)H(20)N(2)O(4), the inner part of the ester substituent is nearly perpendicular to the di­hydro­pyridazine ring, forming a dihedral angle of 83.21 (7)°. In the crystal, inversion dimers are formed by pairwise C—H⋯O inter­actions with the dimers connected into chains exten...

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Autores principales: Zaoui, Younes, Assila, Hamza, Mague, Joel T, Alsubari, Abdulsalam, Taoufik, Jamal, Ramli, Youssef, Ansar, Mhammed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462039/
https://www.ncbi.nlm.nih.gov/pubmed/36339895
http://dx.doi.org/10.1107/S241431462200582X
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author Zaoui, Younes
Assila, Hamza
Mague, Joel T
Alsubari, Abdulsalam
Taoufik, Jamal
Ramli, Youssef
Ansar, Mhammed
author_facet Zaoui, Younes
Assila, Hamza
Mague, Joel T
Alsubari, Abdulsalam
Taoufik, Jamal
Ramli, Youssef
Ansar, Mhammed
author_sort Zaoui, Younes
collection PubMed
description In the title mol­ecule, C(17)H(20)N(2)O(4), the inner part of the ester substituent is nearly perpendicular to the di­hydro­pyridazine ring, forming a dihedral angle of 83.21 (7)°. In the crystal, inversion dimers are formed by pairwise C—H⋯O inter­actions with the dimers connected into chains extending along the b-axis direction by C—H⋯π(ring) inter­actions. The chains are connected by π-stacking inter­actions to give corrugated layers parallel to the ab plane. The terminal ethyl group is disordered over two two sets of sites with the major component having a site occupancy factor of 0.715 (10) [Image: see text]
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spelling pubmed-94620392022-11-04 Ethyl 2-[4-(4-meth­oxy­benz­yl)-3-methyl-6-oxopyridazin-1-yl]acetate Zaoui, Younes Assila, Hamza Mague, Joel T Alsubari, Abdulsalam Taoufik, Jamal Ramli, Youssef Ansar, Mhammed IUCrdata Data Reports In the title mol­ecule, C(17)H(20)N(2)O(4), the inner part of the ester substituent is nearly perpendicular to the di­hydro­pyridazine ring, forming a dihedral angle of 83.21 (7)°. In the crystal, inversion dimers are formed by pairwise C—H⋯O inter­actions with the dimers connected into chains extending along the b-axis direction by C—H⋯π(ring) inter­actions. The chains are connected by π-stacking inter­actions to give corrugated layers parallel to the ab plane. The terminal ethyl group is disordered over two two sets of sites with the major component having a site occupancy factor of 0.715 (10) [Image: see text] International Union of Crystallography 2022-06-07 /pmc/articles/PMC9462039/ /pubmed/36339895 http://dx.doi.org/10.1107/S241431462200582X Text en © Zaoui 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 Data Reports
Zaoui, Younes
Assila, Hamza
Mague, Joel T
Alsubari, Abdulsalam
Taoufik, Jamal
Ramli, Youssef
Ansar, Mhammed
Ethyl 2-[4-(4-meth­oxy­benz­yl)-3-methyl-6-oxopyridazin-1-yl]acetate
title Ethyl 2-[4-(4-meth­oxy­benz­yl)-3-methyl-6-oxopyridazin-1-yl]acetate
title_full Ethyl 2-[4-(4-meth­oxy­benz­yl)-3-methyl-6-oxopyridazin-1-yl]acetate
title_fullStr Ethyl 2-[4-(4-meth­oxy­benz­yl)-3-methyl-6-oxopyridazin-1-yl]acetate
title_full_unstemmed Ethyl 2-[4-(4-meth­oxy­benz­yl)-3-methyl-6-oxopyridazin-1-yl]acetate
title_short Ethyl 2-[4-(4-meth­oxy­benz­yl)-3-methyl-6-oxopyridazin-1-yl]acetate
title_sort ethyl 2-[4-(4-meth­oxy­benz­yl)-3-methyl-6-oxopyridazin-1-yl]acetate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462039/
https://www.ncbi.nlm.nih.gov/pubmed/36339895
http://dx.doi.org/10.1107/S241431462200582X
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