| Literature DB >> 31391989 |
Fouad El Kalai1, Cemile Baydere2, Said Daoui1, Rafik Saddik3, Necmi Dege2, Khalid Karrouchi4, Noureddine Benchat1.
Abstract
The title pyridazinone derivative, C21H19ClN2O3, is not planar. The unsubstituted phenyl ring and the pyridazine ring are inclined to each other, making a dihedral angle of 17.41 (13)° whereas the Cl-substituted phenyl ring is nearly orthogonal to the pyridazine ring [88.19 (13)°]. In the crystal, C-H⋯O hydrogen bonds generate dimers with R 2 2(10) and R 2 2(24) ring motifs which are linked by C-H⋯O inter-actions, forming chains extending parallel to the c-axis direction. The inter-molecular inter-actions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most significant contributions to the crystal packing are from H⋯H (44.5%), C⋯H/H⋯C (18.5%), H⋯O/H⋯O (15.6%), Cl⋯H/H⋯Cl (10.6%) and C⋯C (2.8%) contacts.Entities:
Keywords: Hirshfeld surface analysis; crystal structure; pyridazine
Year: 2019 PMID: 31391989 PMCID: PMC6658951 DOI: 10.1107/S2056989019007424
Source DB: PubMed Journal: Acta Crystallogr E Crystallogr Commun