Crystal structure and Hirshfeld surface analysis of ethyl 2-[5-(3-chlorobenzyl)-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl]acetate
| Autor: | R. Saddik, Khalid Karrouchi, Cemile Baydere, Noureddine Benchat, Fouad El Kalai, Necmi Dege, Said Daoui |
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| Přispěvatelé: | OMÜ |
| Rok vydání: | 2019 |
| Předmět: |
crystal structure
Crystallography Hydrogen bond General Chemistry Crystal structure Dihedral angle 010402 general chemistry 010403 inorganic & nuclear chemistry Condensed Matter Physics Ring (chemistry) 01 natural sciences Research Communications 0104 chemical sciences Crystal Pyridazine chemistry.chemical_compound pyridazine chemistry QD901-999 Hirshfeld surface analysis Hirsh-feld surface analysis General Materials Science Derivative (chemistry) |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 6, Pp 892-895 (2019) Acta Crystallographica Section E: Crystallographic Communications |
| ISSN: | 2056-9890 |
| Popis: | In the title pyridazinone derivative, 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)°], C21H19ClN2O3, contains one independent molecule. C—H⋯O hydrogen bonds, weak C—H⋯π and weak offset π–π stacking interactions stabilize the packing. 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 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⋯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. |
| Databáze: | OpenAIRE |
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