Now showing items 1-6 of 6
Crystal Structure, Spectroscopy, and Quantum Chemical Studies of (E)-2[(2-Chlorophenyl)iminomethyl]-4-trifluoromethoxyphenol
(AMER CHEMICAL SOC, 2011)
The Schiff base compound (E)-2-[(2-chlorophenyl)iminomethyl]-4-trifluoromethoxyphenol has been synthesized and characterized by IR, UV-vis, and X-ray single-crystal determination. The molecular geometry from X-ray experiment ...
Experimental and Computational Approaches to the Molecular Structure of 3-(2-Mercaptopyridine)phthalonitrile
(WILEY-V C H VERLAG GMBH, 2011)
The compound 3-(2-Mercaptopyridine)phthalonitrile has been synthesized and characterized by IR, UV-vis, and X-ray single-crystal determination. The molecular geometry from X-ray determination of the title compound in the ...
In the crystal structure of the title compound, C20H20OP+center dot Cl-, the cations and anions are linked by intermolecular CH center dot center dot center dot Cl and O-H center dot center dot center dot Cl hydrogen bonds ...
Synthesis and Structural and Biochemical Activity Studies of Dioxime Ligand and its Mononuclear Cu(II), Ni(II), and Co(II) Complexes
(TAYLOR & FRANCIS INC, 2011)
A new tetradentate ligand incorporating dioxime moities has been synthesized. Its copper(II), nickel(II), and cobalt(II) complexes have been prepared and characterized by spectral methods. Elemental analyses and spectroscopic ...
DFT computational modeling studies on 4-(2,3-Dihydroxybenzylideneamino)-3-methyl-1H-1,2,4-triazol-5(4H)-one
(ELSEVIER SCIENCE BV, 2011)
Density functional calculations of the structure, atomic charges, molecular electrostatic potential and thermodynamic functions have been performed at B3LYP/6-31G(d) level of theory for the title compound 4-(2,3-Dihydrox ...
In the title compound, C13H12N2O2S, the dihedral angle between the benzene and thiophene rings is 36.72 (8)degrees. An intermolecular C-H center dot center dot center dot pi interaction contributes to the stability of the ...