Browsing by Author "Mague, Joel T."
Now showing items 1-9 of 9
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Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
Bouzian, Younos; Faizi, Md. Serajul Haque; Mague, Joel T.; El Otmani, Bouchaib; Dege, Necmi; Karrouchi, Khalid; Essassi, El Mokhtar (Int Union Crystallography, 2019)In the title quinoline derivative, C24H19NO3, the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)degrees, and to each other by 63.97 (10)degrees. The carboxylate group is twisted ... -
Crystal structure and Hirshfeld surface analysis of 3-(4-methoxyphenyl)-1-methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine
El Hafi, Mohamed; Kansiz, Sevgi; Lahmidi, Sanae; Boulhaoua, Mohammed; Ramli, Youssef; Dege, Necmi; Mague, Joel T. (Int Union Crystallography, 2019)In the title molecule, C19H16N4O, the planar pyrazolopyrimidine moiety is inclined to the attached phenyl rings by 35.42 (4) and 54.51 (6)degrees. In the crystal, adjacent molecules are linked into chains parallel to [110] ... -
Crystal structure and Hirshfeld surface analysis of 5-[(5-nitro-1H-indazol-1-yl)methyl]-3-phenyl-4,5-dihydroisoxazole
Boulhaoua, Mohammed; Kansiz, Sevgi; El Hafi, Mohamed; Lahmidi, Sanae; Dege, Necmi; Benchidmi, Mohammed; Mague, Joel T. (Int Union Crystallography, 2019)In the title compound, C17H14N4O3, the indazole unit is planar to within 0.0171 (10) angstrom and makes dihedral angles of 6.50 (6) and 6.79 (4)degrees, respectively, with the nitro and pendant phenyl groups. The conformation ... -
Crystal structure and Hirshfeld surface analysis of a new benzodiazepine derivative: 4-dichloromethyl-2,3-dinydro-1H-1,5-benzochazepin-2-one
Chkirate, Karim; Kansiz, Sevgi; Karrouchi, Khalid; Mague, Joel T.; Dege, Necmi; Essassi, El Mokhtar (Int Union Crystallography, 2019)In the title compound, C10H8C12N2O, the seven-membered diazepine ring adopts a boat-shaped conformation. The mean planes of the two rings of the benzodiazepine unit are inclined to each other by 22.05 (6)degrees. In the ... -
Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
Bouzian, Younos; Kansiz, Sevgi; Mahi, Lhassane; Ahabchane, Noureddine Hamou; Mague, Joel T.; Dege, Necmi; Essassi, El Mokhtar (Int Union Crystallography, 2020)The asymmetric unit of the title compound, C22H31NO3, comprises of one molecule. The molecule is not planar, with the carboxylate ester group inclined by 33.47 (4)degrees to the heterocyclic ring. Individual molecules are ... -
Crystal structure and Hirshfeld surface analysis of N-(tert-butyl)-2-(phenylethynyl)imidazo[1,2-a]pyridin-3-amine
Tber, Zahira; Kansiz, Sevgi; El Hafi, Mohamed; Loubidi, Mohamed; Jouha, Jabrane; Dege, Necmi; Mague, Joel T. (Int Union Crystallography, 2019)The bicyclic imidazo[1,2-a]pyridine core of the title compound, C19H19N3, is relatively planar with an r.m.s. deviation of 0.040 angstrom. The phenyl ring is inclined to the mean plane of the imidazo[1,2-a]pyridine unit ... -
Crystal structure and Hirshfeld surface analysis of N-{2-[(E)-(4-methylbenzylidene)amino]phenyl}-2-(5-methyl-1-H-pyrazol-3-yl)acetamide hemihydrate
Chkirate, Karim; Kansiz, Sevgi; Karrouchi, Khalid; Mague, Joel T.; Dege, Necmi; Essassi, El Mokhtar (Int Union Crystallography, 2019)The asymmetric unit of the title compound, C20H20N4O center dot 0.5H(2)O, contains two independent organic molecules (1 and 2) and a water molecule of crystallization. The two molecules differ primarily in the dihedral ... -
Synthesis of a novel phenytoin derivative: Crystal structure, Hirshfeld surface analysis and DFT calculations
Guerrab, Walid; Lgaz, Hassane; Kansiz, Sevgi; Mague, Joel T.; Dege, Necmi; Ansar, M.; Ramli, Youssef (Elsevier, 2020)Hydantoin compounds are important heterocyclic scaffolds and a class of well-known bioactive molecules with a broad spectrum of pharmacological properties. Consequently, considerable efforts have been devoted to the design ... -
Synthesis, structural and molecular characterization of 2,2-diphenyl-2H,3H,5H,6H,7H-imidazo[2,1-b][1,3]thiazin-3-one
Guerrab, Walid; Chung, Ill-Min; Kansiz, Sevgi; Mague, Joel T.; Dege, Necmi; Taoufik, Jamal; Ramli, Youssef (Elsevier, 2019)The thiohydantoin scaffold is of substantial importance and it is commonly used in drug discovery. Herein, a novel thiohydantoin-based compound, namely 2,2-diphenyl-2H,3H,5H,6H, 7H-imidazo[2,1-b] [1,3]thiazin-3-one (PIT) ...
