Publication: Crystal Structure and Hirshfeld Surface Analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2H)-one
| dc.authorscopusid | 54410446800 | |
| dc.authorscopusid | 57211033018 | |
| dc.authorscopusid | 57218830426 | |
| dc.authorscopusid | 54883875100 | |
| dc.authorscopusid | 55652041800 | |
| dc.authorscopusid | 8364918200 | |
| dc.authorscopusid | 57210190171 | |
| dc.contributor.author | Daoui, S. | |
| dc.contributor.author | Cinar, E.B. | |
| dc.contributor.author | El Kalai, F.E. | |
| dc.contributor.author | Saddik, R. | |
| dc.contributor.author | Karrouchi, K. | |
| dc.contributor.author | Benchat, N. | |
| dc.contributor.author | Baydere, C. | |
| dc.date.accessioned | 2020-06-21T12:26:05Z | |
| dc.date.available | 2020-06-21T12:26:05Z | |
| dc.date.issued | 2019 | |
| dc.department | Ondokuz Mayıs Üniversitesi | en_US |
| dc.department-temp | [Daoui] Said, Department of Chemistry, Université Mohammed Premier Oujda, Oujda, Oriental, Morocco; [Cinar] Emine Berrin, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [El Kalai] Fouad, Department of Chemistry, Université Mohammed Premier Oujda, Oujda, Oriental, Morocco; [Saddik] Rafik, Laboratory for Organic Synthesis Extraction and Valorization, Hassan II University of Casablanca, Casablanca, Casablanca-Settat, Morocco; [Karrouchi] Khalid, Laboratory of Plant Chemistry Organic and Bioorganic Synthesis, Faculté des Sciences Rabat, Rabat, Morocco; [Benchat] Noureddine, Department of Chemistry, Université Mohammed Premier Oujda, Oujda, Oriental, Morocco; [Baydere] Cemile, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Dege] Necmi, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey | en_US |
| dc.description.abstract | In this paper, we describe the synthesis of a new dihydro-2H-pyridazin-3-one derivative. The molecule, C<inf>18</inf>H<inf>16</inf>N<inf>2</inf>O, is not planar; the benzene and pyridazine rings are twisted with respect to each other, making a dihedral angle of 11.47(2)°, and the toluene ring is nearly perpendicular to the pyridazine ring, with a dihedral angle of 89.624(1)°. The molecular conformation is stabilized by weak intramolecular C-HN contacts. In the crystal, pairs of N-H O hydrogen bonds link the molecules into inversion dimers with an R 2 2(8) ring motif. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots, revealing that the most important contributions for the crystal packing are from HH (56.6%), HC/CH (22.6%), OH/HO (10.0%) and NC/CN (3.5%) interactions. © 2019 International Union of Crystallography. All rights reserved. | en_US |
| dc.identifier.doi | 10.1107/S2056989019011551 | |
| dc.identifier.endpage | 1356 | en_US |
| dc.identifier.issn | 2056-9890 | |
| dc.identifier.pmid | 31523465 | |
| dc.identifier.scopus | 2-s2.0-85072306790 | |
| dc.identifier.scopusquality | Q3 | |
| dc.identifier.startpage | 1352 | en_US |
| dc.identifier.uri | https://doi.org/10.1107/S2056989019011551 | |
| dc.identifier.volume | 75 | en_US |
| dc.identifier.wos | WOS:000484505100014 | |
| dc.language.iso | en | en_US |
| dc.publisher | International Union of Crystallography 5 Abbey Square Chester CH1 2HU | en_US |
| dc.relation.ispartof | ACTA CRYSTALLOGRAPHICA SECTION E-Crystallographic Communications | 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 |
| dc.rights | info:eu-repo/semantics/openAccess | en_US |
| dc.subject | Crystal Structure | en_US |
| dc.subject | Hirshfeld Surface Analysis | en_US |
| dc.subject | Pyridazine | en_US |
| dc.subject | Pyridazine Derivative | en_US |
| dc.subject | Pyridazinone | en_US |
| dc.title | Crystal Structure and Hirshfeld Surface Analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2H)-one | en_US |
| dc.type | Article | en_US |
| dspace.entity.type | Publication |
