Search Results - "Bouzian, Younos"
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Crystal structure, DFT study and Hirshfeld surface analysis of ethyl 6-chloro-2-ethoxyquinoline-4-carboxylate
Published in Acta crystallographica. Section E, Crystallographic communications (01-06-2019)“…In the title quinoline derivative, C 14 H 14 ClNO 3 , there is an intramolecular C—H...O hydrogen bond forming an S (6) graph-set motif. The molecule is…”
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2
Crystal structure, Hirshfeld surface analysis and density functional theory study of benzyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate
Published in Acta crystallographica. Section E, Crystallographic communications (01-08-2021)“…The title molecule, C 20 H 15 NO 3 , adopts a Z -shaped conformation with the carboxyl group nearly coplanar with the dihydroquinoline unit. In the crystal,…”
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3
Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
Published in Acta crystallographica. Section E, Crystallographic communications (01-05-2020)“…The asymmetric unit of the title compound, C 22 H 31 NO 3 , comprises of one molecule. The molecule is not planar, with the carboxylate ester group inclined by…”
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4
Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
Published in Acta crystallographica. Section E, Crystallographic communications (01-07-2019)“…In the title quinoline derivative, C 24 H 19 NO 3 , the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)°, and to each…”
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5
Synthesis, spectroscopic characterization, crystal structure, DFT, molecular docking and in vitro antibacterial potential of novel quinoline derivatives
Published in Journal of molecular structure (05-06-2020)“…Two novel quinolone derivatives were prepared and characterized using different spectroscopic techniques and single crystal X-ray diffraction. The DFT-B3LYP…”
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6
Design and evaluation of novel inhibitors for the treatment of clear cell renal cell carcinoma
Published in Bioorganic chemistry (01-10-2024)“…[Display omitted] •Conventional chemotherapies have limited efficacy in treating clear cell renal cell carcinoma (ccRCC) due to its high molecular diversity,…”
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7
Synthesis, spectroscopic characterization, DFT, molecular docking and in vitro antibacterial potential of novel quinoline derivatives
Published in Journal of molecular structure (15-12-2021)“…•Three novel quinoline derivatives were synthesized and characterized by FT-IR, 1H NMR, 13C NMR and single-crystal XRD.•DFT calculations were…”
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8
Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate
Published in IUCrData (28-10-2018)“…The conformation of the 2-ethoxy-2-oxoethoxy side chain, including a gauche C e —O—C—C 3 [72.46 (16)°] (e = ethoxy) unit, in the title compound, C 18 H 19 NO 7…”
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9
Crystal structure, Hirshfeld surface analysis and density functional theory study of benzyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-di-hydro-quinoline-4-carboxyl-ate
Published in Acta crystallographica. Section E, Crystallographic communications (01-08-2021)“…The title mol-ecule, C H NO , adopts a -shaped conformation with the carboxyl group nearly coplanar with the di-hydro-quinoline unit. In the crystal,…”
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10
Crystal structure, Hirshfeld surface analysis, DFT and molecular docking investigation of 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinoline-4-carboxylate
Published in Acta crystallographica. Section E, Crystallographic communications (01-01-2021)“…In the molecular structure of the title compound, C 20 H 21 N 3 O 7 , the quinoline ring system is slightly bent, with a dihedral angle between the phenyl and…”
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11
Crystal structure, DFT study and Hirshfeld surface analysis of ethyl 6-chloro-2-eth-oxy-quinoline-4-carboxyl-ate
Published in Acta crystallographica. Section E, Crystallographic communications (01-06-2019)“…In the title quinoline derivative, C H ClNO , there is an intra-molecular C-H⋯O hydrogen bond forming an (6) graph-set motif. The mol-ecule is essentially…”
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12
Crystal structure, Hirshfeld surface analysis, DFT and mol-ecular docking investigation of 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 2-[2-(2-oxo-1,3-oxazolidin-3-yl)eth-oxy]quinoline-4-carboxyl-ate
Published in Acta crystallographica. Section E, Crystallographic communications (01-01-2021)“…In the mol-ecular structure of the title compound, C H N O , the quinoline ring system is slightly bent, with a dihedral angle between the phenyl and the…”
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13
Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-di-hydro-quinoline-4-carboxyl-ate
Published in Acta crystallographica. Section E, Crystallographic communications (01-05-2020)“…The asymmetric unit of the title compound, C H NO , comprises of one mol-ecule. The mol-ecule is not planar, with the carboxyl-ate ester group inclined by…”
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14
Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-di-hydro-quinoline-4-carboxyl-ate
Published in Acta crystallographica. Section E, Crystallographic communications (01-07-2019)“…In the title quinoline derivative, C H NO , the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)°, and to each other…”
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15
1-Ethyl-4-phenyl-1 H -1,5-benzodiazepin-2(3 H )-one
Published in IUCrData (28-04-2016)“…The title compound, C 17 H 16 N 2 O, consists of a benzodiazepin-2-one moiety substituted with a phenyl ring and an ethyl group. The seven-membered diazepine…”
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16
1-Ethyl-4-phenyl-1H-1,5-benzodiazepin-2(3H)-one
Published in IUCrData (01-04-2016)“…The title compound, C17H16N2O, consists of a benzodiazepin-2-one moiety substituted with a phenyl ring and an ethyl group. The seven-membered diazepine ring…”
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