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Crystal structure and Hirshfeld surface analysis of 4-(4-methyl­benz­yl)-6-phenyl­pyridazin-3(2H)-one

In this paper, we describe the synthesis of a new di­hydro-2H-pyridazin-3-one derivative. The mol­ecule, C(18)H(16)N(2)O, is not planar; the benzene and pyridazine rings are twisted with respect to each other, making a dihedral angle of 11.47 (2)°, and the toluene ring is nearly perpendicular to the...

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Detalles Bibliográficos
Autores principales: Daoui, Said, Cinar, Emine Berrin, El Kalai, Fouad, Saddik, Rafik, Karrouchi, Khalid, Benchat, Noureddine, Baydere, Cemile, Dege, Necmi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727051/
https://www.ncbi.nlm.nih.gov/pubmed/31523465
http://dx.doi.org/10.1107/S2056989019011551
Descripción
Sumario:In this paper, we describe the synthesis of a new di­hydro-2H-pyridazin-3-one derivative. The mol­ecule, C(18)H(16)N(2)O, is not planar; the benzene and pyridazine rings are twisted with respect to each other, making a dihedral angle of 11.47 (2)°, and the toluene ring is nearly perpendicular to the pyridazine ring, with a dihedral angle of 89.624 (1)°. The mol­ecular conformation is stabilized by weak intra­molecular C—H⋯N contacts. In the crystal, pairs of N—H⋯O hydrogen bonds link the mol­ecules into inversion dimers with an R (2) (2)(8) ring motif. The inter­molecular inter­actions were investigated using Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots, revealing that the most important contributions for the crystal packing are from H⋯H (56.6%), H⋯C/C⋯H (22.6%), O⋯H/H⋯O (10.0%) and N⋯C/C⋯N (3.5%) inter­actions.