dc.contributor.author | Daoui, Said | |
dc.contributor.author | Faizi, Md. Serajul Haque | |
dc.contributor.author | El Kalai, Fouad | |
dc.contributor.author | Saddik, Rafik | |
dc.contributor.author | Dege, Necmi | |
dc.contributor.author | Karrouchi, Khalid | |
dc.contributor.author | Benchat, Noureddine | |
dc.date.accessioned | 2020-06-21T12:26:29Z | |
dc.date.available | 2020-06-21T12:26:29Z | |
dc.date.issued | 2019 | |
dc.identifier.issn | 2056-9890 | |
dc.identifier.uri | https://doi.org/10.1107/S2056989019008557 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12712/10753 | |
dc.description | Dege, Necmi/0000-0003-0660-4721; Faizi, Md. Serajul Haque/0000-0002-4678-9508; karrouchi, khalid/0000-0002-8075-8051; FOUAD, EL KALAI FOUAD/0000-0002-4370-4118 | en_US |
dc.description | WOS: 000477636700021 | en_US |
dc.description | PubMed: 31392019 | en_US |
dc.description.abstract | The title pyridazin-3(2H)-one derivative, C25H19FN2O2, crystallizes with two independent molecules (A and B) in the asymmetric unit. In molecule A, the 4-fluorophenyl ring, the benzyl ring and the phenyl ring are inclined to the central pyridazine ring by 86.54 (11), 3.70 (9) and 84.857 (13)degrees, respectively. In molecule B, the corresponding dihedral angles are 86.80 (9), 10.47 (8) and 82.01 (10)degrees, respectively. In the crystal, the A molecules are linked by pairs of C-H center dot center dot center dot F hydrogen bonds, forming inversion dimers with an R-2(2)(28) ring motif. The dimers are linked by C-H center dot center dot center dot O hydrogen bonds and a C-H center dot center dot center dot pi interaction, forming columns stacking along the a-axis direction. The B molecules are linked to each other in a similar manner and form columns separating the columns of A molecules. | en_US |
dc.description.sponsorship | University Grants Commission, IndiaUniversity Grants Commission, India | en_US |
dc.description.sponsorship | Funding for this research was provided by a start-up grant from the University Grants Commission, India. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Int Union Crystallography | en_US |
dc.relation.isversionof | 10.1107/S2056989019008557 | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | crystal structure | en_US |
dc.subject | pyridazin-3(2H)-one | en_US |
dc.subject | hydrogen bonding | en_US |
dc.subject | C-H center dot center dot center dot pi interaction | en_US |
dc.title | Crystal structure and the DFT and MEP study of 4-benzyl-2[2-(4-fluorophenyl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one | en_US |
dc.type | article | en_US |
dc.contributor.department | OMÜ | en_US |
dc.identifier.volume | 75 | en_US |
dc.identifier.startpage | 1030 | en_US |
dc.identifier.endpage | + | en_US |
dc.relation.journal | Acta Crystallographica Section E-Crystallographic Communications | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |