Title of article
Crystal structure and Hirshfeld surface analysis of 4-(2,6-dichlorobenzyl)-6-[(E)-2-phenylethenyl]pyridazin-3(2H)-one
Author/Authors
Daoui. Said Laboratory of Applied Chemistry and Environment (LCAE) - Faculty of Sciences, Mohamed I University, Morocco , Cinar, Emine Berrin Department of Physics - Faculty of Arts and Sciences - Ondokuz Mayıs University, Turkey , Dege, Necmi Department of Physics - Faculty of Arts and Sciences - Ondokuz Mayıs University, Turkey , Chelfi, Tarik Laboratory of Applied Chemistry and Environment (LCAE) - Faculty of Sciences, Mohamed I University, Morocco , Kalai, Fouad El Laboratory of Applied Chemistry and Environment (LCAE) - Faculty of Sciences, Mohamed I University, Morocco , Abudunia, Abdulmalik Department of Pharmacology - Faculty of Clinical Pharmacy - University of Medical and Applied Sciences, Yemen , Karrouchi, Khalid Laboratory of Analytical Chemistry and Bromatology - Faculty of Medicine and Pharmacy -Mohammed V University, Rabat, Morocco , Benchat, Noureddine Laboratory of Applied Chemistry and Environment (LCAE) - Faculty of Sciences, Mohamed I University, Morocco
Pages
10
From page
1
To page
10
Abstract
The title pyridazinone derivative, C19H14Cl2N2O, an important pharmacophore with a wide variety of biological applications is not planar, the chlorophenyl and pyridazinone rings being almost perpendicular, subtending a dihedral angle of 85.73 (11)°. The phenyl ring of the styryl group is coplanar with the pyridazinone ring [1.47 (12)°]. In the crystal, N—H⋯O hydrogen bonds form inversion dimers with an R22(8) ring motif and C—H⋯Cl hydrogen bonds also occur. The roles of the intermolecular interactions in the crystal packing were clarified using Hirshfeld surface analysis, and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (37.9%), C⋯H/H⋯C (18.7%), Cl⋯H/ H⋯Cl (16.4%) and Cl⋯C/C⋯Cl (6.7%) contacts.
Keywords
crystal structure , Hirshfeld surface analysis , pyridazine derivative , pyridazinone
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2021
Record number
2622453
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