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Toplam kayıt 10, listelenen: 1-10
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Crystal Structure, Hirshfeld Surface Analysis And Dft Studies Of Ethyl 2-{4-[(2-EthOxy-2-OxoethYl)(PhenYl)CarbamoYl]-2-Oxo-1,2-DiHydroQuinolin-1-Yl}Acetate
Filali Baba, Yassir; Hayani, Sonia; Hökelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry; Sebbar, Nada Kheira; Kandri Rodi, Youssef (2019)The title compound, C24H24N2O6, consists of ethyl 2-(1,2,3,4-tetrahydro-2-oxoquinolin-1-yl)acetate and 4-[(2-ethoxy-2-oxoethyl)(phenyl]carbomoyl units, where the oxoquinoline unit is almost planar and the acetate ... -
Crystal Structure, Hirshfeld Surface Analysis And Dft Study Of (2Z)-2-(2,4-DiChloroBenzylIdene)-4-[2-(2-Oxo-1,3-Oxazolidin-3-Yl)EthYl]-3,4-DiHydro-2H-1,4-BenzoThiaZin-3-One
Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; El Ghayati, Lhoussaine; Bouzian, Younes; Mague, Joel T.; Essassi, El Mokhtar (2019)In the title compound, the heterocyclic portion of the dihydrobenzothiazine unit adopts a flattened-boat conformation, while the oxazolidine ring adopts an envelope conformation. The 2-carbon link to the oxazole ring ... -
Crystal Structure, Hirshfeld Surface Analysis And Dft Study Of (2Z)-2-(4-FluoroBenzylIdene)-4-(Prop-2-Yn-1-Yl)-3,4-DiHydro-2H-1,4-BenzoThiaZin-3-One
Hni, Brahim; Sebbar, Nada Kheira; Hökelek, Tuncer; Ouzidan, Younes; Moussaif, Ahmed; Mague, Joel T.; Essassi, El Mokhtar (2019)In the title compound, the heterocyclic portion of the dihydrobenzothiazine unit adopts a shallow boat conformation. The propynyl substituent is nearly perpendicular to the plane formed by the rails of the boat. In the ... -
Crystal Structure, Hirshfeld Surface Analysis And InterAction Energy And Dft Studies Of (2Z)-4-Benzyl-2-(2,4-DiChloroBenzylIdene)-2H-1,4-BenzoThiaZin-3(4H)-One
Sebbar, Nada Kheira; Hni, Brahim; Hökelek, Tuncer; Labd Taha, Mohamed; Mague, Joel T.; El Ghayati, Lhoussaine; Essassi, El Mokhtar (2019)The title compound contains 1,4-benzothiazine and 2,4-dichlorobenzylidene units, where the dihydrothiazine ring adopts a screw-boat conformation. In the crystal, intermolecular C—HBnz⋯OThz (Bnz = benzene and Thz ... -
Crystal Structure, Hirshfeld Surface Analysis And InterAction Energy And Dft Studies Of 1-Methyl-3-(Prop-2-Yn-1-Yl)-2,3-DiHydro-1H-1,3-BenzoDiazol-2-One
Saber, Asmaa; Srhir, Mohamed; Hökelek, Tuncer; Mague, Joel T.; Hamou Ahabchane, Noureddine; Sebbar, Nada Kheira; Essassi, El Mokhtar (2019)The dihydrobenzimidazol-2-one moiety is essentially planar with the prop-2-yn- 1-yl substituent rotated well out of this plane. In the crystal, C—H⋯π(ring) interactions and C—H⋯O hydrogen bonds form corrugated layers ... -
Crystal Structure, Hirshfeld Surface Analysis And InterAction Energy And Dft Studies Of 2-ChloroEthyl 2-Oxo-1-(Prop-2-Yn-1-Yl)-1,2-DiHydroQuinoline-4-CarboxylAte
Hayani, Sonia; Filali Baba, Yassir; Hökelek, Tuncer; Ouazzani Chahdi, Fouad; Mague, Joel T.; Sebbar, Nada Kheira; Kandri Rodi, Youssef (2019)The title compound consists of a 1,2-dihydroquinoline-4-carboxylate unit with 2-chloroethyl and propynyl substituents, where the quinoline moiety is almost planar and the propynyl substituent is nearly perpendicular ... -
Crystal Structure, Hirshfeld Surface Analysis And InterAction Energy And Dft Studies Of 3-{(2Z)-2-[(2,4-DiChloroPhenYl)MethylIdene]-3-Oxo-3,4-DiHydro-2H-1,4-BenzoThiaZin-4-Yl}PropaneNitrile
Sebbar, Nada Kheira; Hni, Brahim; Hökelek, Tuncer; Jaouhar, Abdelhakim; Labd Taha, Mohamed; Mague, Joel T.; Essassi, El Mokhtar (2019)In the title compound, the dihydrobenzothiazine moiety is folded about the S1⋯N1 axis. In the crystal, inversion dimers, generated by C—HBnz⋯NPrpnit (Bnz = benzene, Prpnit = propanenitrile) hydrogen bonds, are linked ... -
Crystal Structure, Hirshfeld Surface Analysis And InterAction Energy And Dft Studies Of 4-[(Prop-2-En-1-YlOxy)MethYl]-3,6-Bis(Pyridin-2-Yl)Pyridazine
Filali, Mouad; Sebbar, Nada Kheira; Hökelek, Tuncer; Mague, Joel T.; Chakroune, Said; Ben-Tama, Abdessalam; El Hadrami, El Mestafa (2019)The title compound consists of a 3,6-bis(pyridin-2-yl)pyridazine unit linked to a 4-[(prop-2-en-1-yloxy)methyl] moiety. The pyridine-2-yl rings are rotated slightly out of the plane of the pyridazine ring. In the crystal, ... -
Crystal Structure, Hirshfeld Surface Analysis And InterAction Energy And Dft Studies Of Methyl 4-[3,6-Bis(Pyridin-2-Yl)Pyridazin-4-Yl]Benzoate
Filali, Mouad; El Ghayati, Lhoussaine; Hökelek, Tuncer; Mague, Joel T.; Ben-Tama, Abdessalam; El Hadrami, El Mestafa; Sebbar, Nada Kheira (2019)The pyridazine ring deviates slightly from planarity. In the crystal, ribbons consisting of inversion-related chains of molecules extending along the a-axis direction are formed by C—HMthy⋯OCarbx (Mthy = methyl and Carbx ... -
Synthesis, Crystal Structure And Hirshfeld Surface Analysis Of 3-(4,4-Dimethyl-2,3,4,5-TetraHydro-1H-1,5-Benzodiazepin-2-YlIdene)-6-Methyl-3,4-DiHydro-2H-Pyran-2,4-Dione
Samba, Mohamed; Minnih, Mohamed Said; Hökelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry P.; Sebbar, Nada Kheira; Essassi, El Mokhtar (2019)The title compound is built up from the benzodiazepine ring system linked to the pyridyl and pendant dihydropyran rings. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. ...