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.

Acta Crystallogr E Crystallogr Commun

Laboratory of Applied Chemistry and Environment (LCAE), Faculty of Sciences, Mohamed I University, 60000 Oujda, Morocco.

Published: June 2019

The title pyridazinone derivative, CHClNO, 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 (10) and (24) ring motifs which are linked by C-H⋯O inter-actions, forming chains extending parallel to the 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.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658951PMC
http://dx.doi.org/10.1107/S2056989019007424DOI Listing

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