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Synthesis, crystal structure, DFT calculations, Hirshfeld surface, vibrational and optical properties of a novel hybrid non-centrosymmetric material (C10H15N2)2H2P2O7
(Elsevier B.V., 2019)
This present work undertakes the study of a novel organic–inorganic hybrid material, which has been obtained successfully by an acid-base reaction at room temperature and structurally studied by the single crystal X-ray ...
Theoretical, spectroscopic and antioxidant activity studies on (E)-2-[(2-fluorophenylimino)methyl]-4-hydroxyphenol and (E)-2-[(3-fluorophenylimino)methyl]-4-hydroxyphenol compounds
(Elsevier B.V., 2017)
We studied synthesis and characterization of the title compounds by using X-ray crystallographic technique, FT-IR spectroscopy, UV–Vis spectroscopy and Density functional method. Optimized geometry, vibrational frequencies ...
Two novel unsymmetrical ferrocene based azines and their complexing abilities towards Cu(II): Spectroscopy, crystal structure, electrochemistry and DFT calculations
(Elsevier Ltd, 2015)
Two new ferrocenyl-substituted unsymmetric azine ligands and their Cu(II) complexes were prepared. The redox active ferrocene-based azine ligands 1 and 2 were obtained by the condensation of 1-[(E)-hydrazinylidenemethyl] ...
(E)-1-[4-(2-hydroxy-5-methoxybenzylideneamino)-phenyl]ethanone and (E)-1-[4-(2-hydroxy-4-methoxybenzylideneamino)phenyl]ethanone: X-ray and DFT-calculated structures
(2011)
The isomeric structures of (E)-1-[4-(2-hydroxy-5-methoxybenzylideneamino)- phenyl] ethanone (I) and (E)-1-[4-(2-hydroxy-4-methoxybenzylideneamino)phenyl] ethanone (II), both C16H15NO3, have been determined using X-ray ...
Structural and photophysical characterization, topological and conformational analysis of 2-o-tolyl-4-(3-N,N-dimethylaminophenylmethylene)- oxazol-5-one
(2011)
A novel oxazole-5-one derivative 2-o-tolyl-4-(3-N,N- dimethylaminophenylmethylene)-oxazol-5-one (TDPO) C19H 18N2O2 is synthesized and characterized and the crystal structure is determined by X-ray crystallography. TDPO is ...
Structure and dft calculations of 2-{[3-methyl-3-phenyl-cyclobutyl)- thiazol-2-yl]-hydrazonomethyl}-phenol
(2011)
The title compound 2-{[3-Methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]- hydrazonomethyl}-phenol (C21H21N3S 1O1) crystallizes in the P-1 triclinic space group with a = 5.8880(4) Å, b = 9.5618(5) Å, c = 17.0484(10) Å, ? = ...
Structural and Spectroscopic Characterization of N-(2-Amino-4,5-Dichlorophenyl)-N-(Phenylsulfonyl)Benzenesulfonamide: a Joint Experimental and Quantum Chemical Study
(Springer, 2019)
The new sulfonamide compound (C18H14Cl2N2O4S2) has been isolated from the reaction of 4,5-dichloro-1,2-diaminobenzen and benzensulfonyl chloride in the presence triethylamine in THF. X-ray diffraction, Hirshfeld surface ...
Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of (Z)-N '-(2,4-dinitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide
(Elsevier Science Bv, 2019)
New organic compound of (Z) -N'- (2, 4-dinitrobenzylidene) -2- (quinolin-8-yloxy) acetohydrazide (DBQA) was synthesized for the first time and its structural characterization was performed by single crystal X-ray diffraction ...
Crystal structure, spectroscopic characterization, thermal properties and theoretical investigations on [Ag(methyl 4-pyridyl ketone)2NO3]
(Elsevier Science Bv, 2019)
In this paper, we report the synthesis, X-Ray structure, FTIR and thermal characterization, and computational investigations of a silver (I) complex, bis (methyl 4-pyridyl ketone) nitrato silver (I) (I),[Ag(M4PK)2 NO3] ...
Synthesis, characterization and single crystal X-ray studies of pincer type Ni(II)-Schiff base complexes: Application in synthesis of 2-substituted benzimidazoles
(Elsevier Science Sa, 2019)
Five new pincer type Ni(II)-Schiff base complexes of the general formula [NiL1(PPh3)] 1, [NiL2(PPh3)] 2, [NiL3(PPh3)] 3, [NiL4(PPh3)] 4 and [NiL4(4-MePy)] 5 [where H2L1 = 2-(2,3-dihydroxybenzylideneamino) phenol, H2L2 = ...
