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Synthesis and structure of 4-{[(E)-(7-meth­oxy-1,3-benzodioxol-5-yl)methyl­idene]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one

In the title compound, C(20)H(19)N(3)O(4), the dihedral angles between the central pyrazole ring and the pendant phenyl and substituted benzene rings are 50.95 (8) and 3.25 (12)°, respectively, and an intra­molecular C—H⋯O link generates an S(6) ring. The benzodioxolyl ring adopts a shallow envelope...

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Autores principales: Arderne, Charmaine, Fotsing, Marthe Carine Djuide, Ndinteh, Derek Tantoh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869537/
https://www.ncbi.nlm.nih.gov/pubmed/33614154
http://dx.doi.org/10.1107/S2056989021000797
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author Arderne, Charmaine
Fotsing, Marthe Carine Djuide
Ndinteh, Derek Tantoh
author_facet Arderne, Charmaine
Fotsing, Marthe Carine Djuide
Ndinteh, Derek Tantoh
author_sort Arderne, Charmaine
collection PubMed
description In the title compound, C(20)H(19)N(3)O(4), the dihedral angles between the central pyrazole ring and the pendant phenyl and substituted benzene rings are 50.95 (8) and 3.25 (12)°, respectively, and an intra­molecular C—H⋯O link generates an S(6) ring. The benzodioxolyl ring adopts a shallow envelope conformation with the methyl­ene C atom as the flap. In the crystal, the mol­ecules are linked by non-classical C—H⋯O inter­actions, which generate a three-dimensional network. Solvent-accessible voids run down the c-axis direction and the residual electron density in these voids was modelled during the refinement process using the SQUEEZE algorithm [Spek (2015 ▸). Acta Cryst. C71, 9–18] within the structural checking program PLATON.
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spelling pubmed-78695372021-02-19 Synthesis and structure of 4-{[(E)-(7-meth­oxy-1,3-benzodioxol-5-yl)methyl­idene]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one Arderne, Charmaine Fotsing, Marthe Carine Djuide Ndinteh, Derek Tantoh Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(20)H(19)N(3)O(4), the dihedral angles between the central pyrazole ring and the pendant phenyl and substituted benzene rings are 50.95 (8) and 3.25 (12)°, respectively, and an intra­molecular C—H⋯O link generates an S(6) ring. The benzodioxolyl ring adopts a shallow envelope conformation with the methyl­ene C atom as the flap. In the crystal, the mol­ecules are linked by non-classical C—H⋯O inter­actions, which generate a three-dimensional network. Solvent-accessible voids run down the c-axis direction and the residual electron density in these voids was modelled during the refinement process using the SQUEEZE algorithm [Spek (2015 ▸). Acta Cryst. C71, 9–18] within the structural checking program PLATON. International Union of Crystallography 2021-01-29 /pmc/articles/PMC7869537/ /pubmed/33614154 http://dx.doi.org/10.1107/S2056989021000797 Text en © Arderne et al. 2021 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
Arderne, Charmaine
Fotsing, Marthe Carine Djuide
Ndinteh, Derek Tantoh
Synthesis and structure of 4-{[(E)-(7-meth­oxy-1,3-benzodioxol-5-yl)methyl­idene]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title Synthesis and structure of 4-{[(E)-(7-meth­oxy-1,3-benzodioxol-5-yl)methyl­idene]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title_full Synthesis and structure of 4-{[(E)-(7-meth­oxy-1,3-benzodioxol-5-yl)methyl­idene]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title_fullStr Synthesis and structure of 4-{[(E)-(7-meth­oxy-1,3-benzodioxol-5-yl)methyl­idene]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title_full_unstemmed Synthesis and structure of 4-{[(E)-(7-meth­oxy-1,3-benzodioxol-5-yl)methyl­idene]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title_short Synthesis and structure of 4-{[(E)-(7-meth­oxy-1,3-benzodioxol-5-yl)methyl­idene]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1H-pyrazol-3-one
title_sort synthesis and structure of 4-{[(e)-(7-meth­oxy-1,3-benzodioxol-5-yl)methyl­idene]amino}-1,5-dimethyl-2-phenyl-2,3-di­hydro-1h-pyrazol-3-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7869537/
https://www.ncbi.nlm.nih.gov/pubmed/33614154
http://dx.doi.org/10.1107/S2056989021000797
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