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Crystal structures and Hirshfeld surface analyses of 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2H)-one and methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate
| Content Provider | Semantic Scholar |
|---|---|
| Author | Dadou, Said Kansiz, Sevgi Daoui, Said Kalai, Fouad El Baydere, Cemile Saddik, Rafik Karrouchi, Khalid Dege, Necmi Benchat, Noureddine |
| Copyright Year | 2019 |
| Abstract | The asymmetric units of the title compounds both contain one nonplanar mol-ecule. In 4-benzyl-6-phenyl-4,5-di-hydro-pyridazin-3(2H)-one, C17H14N2O, (I), the phenyl and pyridazine rings are twisted with respect to each other, making a dihedral angle of 46.69 (9)°; the phenyl ring of the benzyl group is nearly perpendicular to the plane of the pyridazine ring, the dihedral angle being 78.31 (10)°. In methyl 2-[5-(2,6-di-chloro-benz-yl)-6-oxo-3-phenyl-1,4,5,6-tetra-hydropyridazin-1-yl]acetate, C20H16Cl2N2O3, (II), the phenyl and pyridazine rings are twisted with respect to each other, making a dihedral angle of 21.76 (18)°, whereas the phenyl ring of the di-chloro-benzyl group is inclined to the pyridazine ring by 79.61 (19)°. In the crystal structure of (I), pairs of N-H⋯O hydrogen bonds link the mol-ecules into inversion dimers with an R 2 2(8) ring motif. In the crystal structure of (II), C-H⋯O hydrogen bonds generate dimers with R 1 2(7), R 2 2(16) and R 2 2(18) ring motifs. The Hirshfeld surface analyses of compound (I) suggests that the most significant contributions to the crystal packing are by H⋯H (48.2%), C⋯H/H⋯C (29.9%) and O⋯H/H⋯O (8.9%) contacts. For compound (II), H⋯H (34.4%), C⋯H/H⋯C (21.3%) and O⋯H/H⋯O (16.5%) inter-actions are the most important contributions. |
| Starting Page | 1679 |
| Ending Page | 1684 |
| Page Count | 6 |
| File Format | PDF HTM / HTML |
| DOI | 10.1107/s2056989019013707 |
| Alternate Webpage(s) | http://journals.iucr.org/e/issues/2019/11/00/wm5515/wm5515.pdf |
| PubMed reference number | 31709089 |
| Alternate Webpage(s) | https://doi.org/10.1107/s2056989019013707 |
| Journal | Medline |
| Volume Number | 75 |
| Journal | Acta crystallographica. Section E, Crystallographic communications |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
