Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3(2H)-one
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چکیده
منابع مشابه
Synthesis and crystal structure of Schiff-base compound (E)-4-methoxy-N- (4-hydroxybenzylidene) aniline
New Schiff-base compound (E)-4-methoxy-N-(4-hydroxybenzylidene) aniline has been synthesized from the reaction of 4-hydroxybenzaldehyde with 4-methoxyaniline in methanol at 50ºC, and has been characterized by using elemental analysis and FT-IR spectroscopy. The crystal structure of the title compound has been determined by single crystal X-ray diffraction study. The title compound crystallizes ...
متن کاملCrystal structure of 4-(4-chlorophenyl)-6-(morpholin-4-yl)pyridazin-3(2H)-one
In the title compound, C14H14ClN3O2, the morpholine ring adopts a chair conformation, with the exocyclic N-C bond in an equatorial orientation. The 1,6-di-hydro-pyridazine ring is essentially planar, with a maximum deviation of 0.014 (1) Å, and forms a dihedral angle of 40.16 (7)° with the plane of the benzene ring. In the crystal, pairs of centrosymmetrically related mol-ecules are linked into...
متن کاملCrystal structure of (E)-1-[4-({4-[(4-methoxybenzylidene)amino]phenyl}sulfanyl)phenyl]ethan-1-one
The title Schiff base compound, C22H19NO2S, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Both mol-ecules have an E conformation about the C=N bond. The two mol-ecules differ in the orientation of the aromatic rings with respect to each other. The outer 4-meth-oxy-benzene ring is inclined to the central benzene ring and the outer 4-acetyl-benzene ring by 1.80 (1...
متن کاملCrystal structure of (E)-4-benzylidene-6-phenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
The preparation of the title compound, C26H25N, was achieved by the condensation of an ethano-lic mixture of benzaldehyde, cyclo-hexa-none and ammonium acetate in a 2:1:1 molar ratio. There are two crystallographically independent mol-ecules in the asymmetric unit. The two cyclo-hexyl rings adopt an anti-envelope conformation with the benzyl moiety adopting a cis conformation with respect to th...
متن کاملSynthesis, Characterization and Crystal structure of Chiral Schiff base compound (E)-3, 4-Dimethoxy [(1-phenylethyl) iminomethyl] benzyne
The crystal structure of the title chiral Schiff base compound (E)-3,4-dimethoxy[(1-phenylethyl)iminomethyl]bezyne (1) was determined by single-crystal X-ray diffraction data. The title compound was further characterized by elemental analyses (CHN), FT-IR, 1H-NMR and UV-Vis spectroscopic techniques. It crystallizes in the monoclinic space group P21 with unit cell parameters: a = 19.0121 (2), b...
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ژورنال
عنوان ژورنال: Journal of Molecular Structure
سال: 2021
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2020.129435