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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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Detalles Bibliográficos
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
Descripción
Sumario: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.