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Crystal structure and Hirshfeld surface analysis of 4-(4-methylbenzyl)-6-phenylpyridazin-3(2H)-one 

Daoui, Said; Cinar, Emine Berrin; El Kalai, Fouad; Saddik, Rafik; Karrouchi, Khalid; Benchat, Noureddine; Dege, Necmi (Int Union Crystallography, 2019)
In this paper, we describe the synthesis of a new dihydro-2H-pyridazin-3-one derivative. The molecule, C18H16N2O, is not planar; the benzene and pyridazine rings are twisted with respect to each other, making a dihedral ...

Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses 

Daoui, Said; Baydere, Cemile; Chelfi, Tarik; El Kalai, Fouad; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine (Int Union Crystallography, 2020)
Two polymorphs of the title compound, C19H16N2O3, were obtained from ethanolic (polymorph I) and methanolic solutions (polymorph II), respectively. Both polymorphs crystallize in the monoclinic system with four formula ...

Crystal structure and Hirshfeld surface analysis of ethyl 2-[5-(3-chlorobenzyl)-6-oxo-3-phenyl-1,6-di-hydropyridazin- 1-yl]acetate 

El Kalai, Fouad; Baydere, Cemile; Daoui, Said; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine (Int Union Crystallography, 2019)
The title pyridazinone derivative, C21H19ClN2O3, is not planar. The unsubstituted phenyl ring and the pyridazine ring are inclined to each other, making a dihedral angle of 17.41 (13)degrees whereas the Cl-substituted ...

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 ...

Crystal structure, Hirshfeld surface analysis and DFT studies of 6-[(E)-2-(thiophen-2-yl)etnenyl]-4,5-dihydropyridazin-3(2H)-one 

Daoui, Said; Cinar, Emine Berrin; El Kalai, Fouad; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine (Int Union Crystallography, 2019)
In the title compound, C10H10N2OS, the five atoms of the thiophene ring are essentially coplanar (r.m.s. deviation = 0.0037 angstrom) and the pyridazine ring is nonplanar. In the crystal, pairs of N-H center dot center dot ...

Crystal structure and Hirshfeld surface analysis of 4-(2,6-dichlorobenzyl)-6-phenylpyridazin-3(2H)-one 

El Kali, Fouad; Kansiz, Sevgi; Daoui, Said; Saddik, Rafik; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine (Int Union Crystallography, 2019)
The asymmetric unit of the title compound, C17H12Cl2N2O, contains one independent molecule. The molecule is not planar, the phenyl and pyridazine rings are twisted with respect to each other, making a dihedral angle of ...

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 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 ...

Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[5-(4-methylbenzyl)-6-oxo-3-phenyl-1,6-dihydropyriciazin-1-yl]acetic acid 

Daoui, Said; Baydere, Cemile; El Kalai, Fouad; Mahi, Lhassane; Dege, Necmi; Karrouchi, Khalid; Benchat, Noureddine (Int Union Crystallography, 2019)
The title pyridazinone derivative, C20H18N2O3, is not planar. The phenyl ring and the pyridazine ring are inclined to each other by 10.55 (12)degrees, whereas the 4-methylbenzyl ring is nearly orthogonal to the pyridazine ...
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Dege, Necmi (11)
Karrouchi, Khalid (11)
Benchat, Noureddine (7)Daoui, Said (7)El Kalai, Fouad (6)Saddik, Rafik (5)Baydere, Cemile (3)Chkirate, Karim (3)Essassi, El Mokhtar (3)Kansiz, Sevgi (3)... Daha FazlaKonucrystal structure (10)Hirshfeld surface analysis (6)hydrogen bonding (5)pyridazine (4)DFT (3)2-oxo-1,2-dihydroquinoline (1)benzodiazepin-2-one (1)C-H center dot center dot center dot O hydrogen bonding (1)C-H center dot center dot center dot pi interaction (1)C-H center dot center dot center dot pi interactions (1)... Daha FazlaYayın Tarihi2019 (9)2020 (2)Tam Metin DurumuTam Metni Olmayanlar (11)

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