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Synthesis, crystal structure, and non-covalent interactions in ethyl 4-hydrazinobenzoate hydrochloride
(Elsevier Science Bv, 2019)
The compound ethyl 4-hydrazinobenzoate hydrochloride (E-4HB), C9H13N2O2Cl, has been synthesized and characterized by FT-IR, H-1 and C-13 NMR and X-ray diffraction. The compound crystallizes as colourless plates in the ...
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 = ...
Synthesis, crystal structure, photophysical properties, density functional theory calculations and molecular docking studies on Cd(II) complex of 4,4 '-dimethyl-2,2 '-dipyridyl
(Elsevier, 2020)
A Cd(II) complex containing 4,4'-dimethyl-2,2'-dipyridyl (dmbpy) and nitrate (NO3-) was synthesized, and its crystal structure was determined by single crystal X-ray diffraction method. A detailed investigation on the ...
Synthesis of a novel phenytoin derivative: Crystal structure, Hirshfeld surface analysis and DFT calculations
(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 ...
A novel 3-acetoxy-2-methyl-N-(4-methoxyphenyl)benzamide: Molecular structural describe, antioxidant activity with use X-ray diffractions and DFT calculations
(Elsevier, 2015)
In this work, the structure of a novel 3-acetoxy-2-methyl-N-(4-methoxyphenyl) benzamide, was analyzed both experimentally and theoretically using three methods, X-ray single crystal diffraction technique, IR spectroscopy, ...
Synthesis and X-ray crystal structures of three new nickel(II) complexes of benzoylhydrazones: Catalytic applications in the synthesis of 2-arylbenzoxazoles
(Elsevier Science Sa, 2020)
Three new complexes of nickel(II), having general formula [Ni(L-1)(PPh3)] (1), [Ni(L-1)(4-picoline)] (2), and [Ni (L-2)(4-picoline)] (3) were synthesized by the reaction of Ni(OAc)(2)center dot 4H(2)O with corresponding ...
Crystal structure and spectroscopic characterization of (E)-2-(((4-bromo-2-(trifluoromethoxy)phenyl)imino)methyl)-4-nitrophenol: A combined experimental and computational study
(Elsevier Science Bv, 2014)
A novel compound crystallizes in the triclinic space group P-1 with a = 7.674(4) angstrom, b = 12.584(6) angstrom, c = 15.921(6) angstrom, alpha = 89.62(4)degrees, beta = 84.34(4)degrees, gamma = 73.77(4)degrees and Z=4. ...
The synthesis, characterization, crystal structure and theoretical calculations of a new meso-BOBIPY substituted phthalonitrile
(Elsevier, 2014)
A novel 4-(2-meso-BOBIPY-phenoxy)phthalonitrile (6) derivative has been synthesized starting from BF3-OEt2 complex and 4-(2-meso-dipyrromethene-phenoxy)phthalonitrile (5) which was prepared by the oxidation of 4-(2-meso- ...
The Synthesis, Characterization, Crystal Structure and Photophysical Properties of a New Meso-BODIPY Substituted Phthalonitrile
(Springer/Plenum Publishers, 2015)
A new highly fluorescent difluoroboradipyrromethene (BODIPY) dye (4) bearing an phthalonitrile group at meso-position of the chromophoric core has been synthesized starting from 4-(4-meso-dipyrromethene-phenoxy)phthalonitrile ...
Direct and solvent-assisted thione-thiol tautomerism in 5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione: Experimental and molecular modeling study
(Elsevier, 2014)
The compound has been synthesized and characterized by IR, NMR and X-ray diffraction. Quantum chemical calculations at B3LYP/6-311++G(d,p) level were performed to study the molecular and spectroscopic properties, conformational ...
