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Crystal structure and the DFT and MEP study of 4-benzyl-2[2-(4-fluorophenyl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one

Daoui, Said; Faizi, Md. Serajul Haque; El Kalai, Fouad; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine (Int Union Crystallography, 2019)

The 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 ...

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 ...