Publication:
Crystal Structure and Hirshfeld Surface Analysis of 4-(4-methyl­benz­yl)-6-phenyl­pyridazin-3(2H)-one

dc.authorscopusid54410446800
dc.authorscopusid57211033018
dc.authorscopusid57218830426
dc.authorscopusid54883875100
dc.authorscopusid55652041800
dc.authorscopusid8364918200
dc.authorscopusid57210190171
dc.contributor.authorDaoui, S.
dc.contributor.authorCinar, E.B.
dc.contributor.authorEl Kalai, F.E.
dc.contributor.authorSaddik, R.
dc.contributor.authorKarrouchi, K.
dc.contributor.authorBenchat, N.
dc.contributor.authorBaydere, C.
dc.date.accessioned2020-06-21T12:26:05Z
dc.date.available2020-06-21T12:26:05Z
dc.date.issued2019
dc.departmentOndokuz Mayıs Üniversitesien_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, Turkeyen_US
dc.description.abstractIn 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.doi10.1107/S2056989019011551
dc.identifier.endpage1356en_US
dc.identifier.issn2056-9890
dc.identifier.pmid31523465
dc.identifier.scopus2-s2.0-85072306790
dc.identifier.scopusqualityQ3
dc.identifier.startpage1352en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989019011551
dc.identifier.volume75en_US
dc.identifier.wosWOS:000484505100014
dc.language.isoenen_US
dc.publisherInternational Union of Crystallography 5 Abbey Square Chester CH1 2HUen_US
dc.relation.ispartofACTA CRYSTALLOGRAPHICA SECTION E-Crystallographic Communicationsen_US
dc.relation.journalActa Crystallographica Section E-Crystallographic Communicationsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectCrystal Structureen_US
dc.subjectHirshfeld Surface Analysisen_US
dc.subjectPyridazineen_US
dc.subjectPyridazine Derivativeen_US
dc.subjectPyridazinoneen_US
dc.titleCrystal Structure and Hirshfeld Surface Analysis of 4-(4-methyl­benz­yl)-6-phenyl­pyridazin-3(2H)-oneen_US
dc.typeArticleen_US
dspace.entity.typePublication

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