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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...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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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 |
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. |
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