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dc.contributor.authorDaoui, Said
dc.contributor.authorFaizi, Md. Serajul Haque
dc.contributor.authorEl Kalai, Fouad
dc.contributor.authorSaddik, Rafik
dc.contributor.authorDege, Necmi
dc.contributor.authorKarrouchi, Khalid
dc.contributor.authorBenchat, Noureddine
dc.date.accessioned2020-06-21T12:26:29Z
dc.date.available2020-06-21T12:26:29Z
dc.date.issued2019
dc.identifier.issn2056-9890
dc.identifier.urihttps://doi.org/10.1107/S2056989019008557
dc.identifier.urihttps://hdl.handle.net/20.500.12712/10753
dc.descriptionDege, Necmi/0000-0003-0660-4721; Faizi, Md. Serajul Haque/0000-0002-4678-9508; karrouchi, khalid/0000-0002-8075-8051; FOUAD, EL KALAI FOUAD/0000-0002-4370-4118en_US
dc.descriptionWOS: 000477636700021en_US
dc.descriptionPubMed: 31392019en_US
dc.description.abstractThe 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.sponsorshipUniversity Grants Commission, IndiaUniversity Grants Commission, Indiaen_US
dc.description.sponsorshipFunding for this research was provided by a start-up grant from the University Grants Commission, India.en_US
dc.language.isoengen_US
dc.publisherInt Union Crystallographyen_US
dc.relation.isversionof10.1107/S2056989019008557en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectcrystal structureen_US
dc.subjectpyridazin-3(2H)-oneen_US
dc.subjecthydrogen bondingen_US
dc.subjectC-H center dot center dot center dot pi interactionen_US
dc.titleCrystal structure and the DFT and MEP study of 4-benzyl-2[2-(4-fluorophenyl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-oneen_US
dc.typearticleen_US
dc.contributor.departmentOMÜen_US
dc.identifier.volume75en_US
dc.identifier.startpage1030en_US
dc.identifier.endpage+en_US
dc.relation.journalActa Crystallographica Section E-Crystallographic Communicationsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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