Crystal structure and Hirshfeld surface analysis of ethyl 2-[5-(3-chloro-benz-yl)-6-oxo-3-phenyl-1,6-di-hydro-pyridazin-1-yl]acetate.

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.

SUBMITTER: El Kalai F 

PROVIDER: S-EPMC6658951 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature