Title of article
Crystal structure and Hirshfeld surface analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2H)-one
Author/Authors
Daoui, Said Laboratory of Applied Chemistry and Environment (LCAE) - Department of Chemistry, Faculty of Sciences - University Mohamed Premier, Morocco , Berrin Cinar, Emine Ondokuz Mayıs University - Faculty of Arts and Sciences - Department of Physics - Kurupelit, Samsun, Turkey , Kalai, Fouad El Laboratory of Applied Chemistry and Environment (LCAE) - Department of Chemistry, Faculty of Sciences - University Mohamed Premier, Morocco , Saddik, Rafik Laboratory of Organic Synthesis - Extraction and Development - Faculty of Sciences - Hassan II University, Casablanca, Morocco , Karrouchi, Khalid Laboratory of Plant Chemistry - Organic and Bioorganic Synthesis, URAC23 - Faculty of Science, Morocco , Benchat, Noureddine Laboratory of Applied Chemistry and Environment (LCAE) - Department of Chemistry, Faculty of Sciences - University Mohamed Premier, Morocco , Baydere, Cemile Ondokuz Mayıs University - Faculty of Arts and Sciences - Department of Physics - Kurupelit, Samsun, Turkey , Dege, Necmi Ondokuz Mayıs University - Faculty of Arts and Sciences - Department of Physics - Kurupelit, Samsun, Turkey
Pages
10
From page
1
To page
10
Abstract
In this paper, we describe the synthesis of a new dihydro-2H-pyridazin-3-one derivative. The molecule, C18H16N2O, 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 R22(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.
Keywords
crystal structure , Hirshfeld surface analysis , pyridazine , pyridazine derivative , pyridazinone
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2019
Record number
2625330
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