Crystal structure and Hirshfeld surface analysis of ethyl 2-[5-(3-chlorobenzyl)-6-oxo-3-phenyl-1,6-di-hydropyridazin- 1-yl]acetate


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El Kalai F., Baydere C., Daoui S., Saddik R., DEGE N., Karrouchi K., ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.75, pp.892-900, 2019 (ESCI) identifier identifier identifier

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)degrees whereas the Cl-substituted phenyl ring is nearly orthogonal to the pyridazine ring [88.19 (13)degrees]. In the crystal, C-H center dot center dot center dot O hydrogen bonds generate dimers with R-2(2)(10) and R-2(2)(24) ring motifs which are linked by C-H center dot center dot center dot O interactions, forming chains extending parallel to the c-axis direction. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most significant contributions to the crystal packing are from H center dot center dot center dot H (44.5%), C center dot center dot center dot H/H center dot center dot center dot C (18.5%), H center dot center dot center dot O/H center dot center dot center dot O (15.6%), Cl center dot center dot center dot H/H center dot center dot center dot Cl (10.6%) and C center dot center dot center dot C (2.8%) contacts.