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Synthesis, spectroscopic (FT-IR/NMR) characterization, X-ray structure and DFT studies on (E)-2-(1-phenylethylidene) hydrazinecarboximidamide nitrate hemimethanol
(Pergamon-Elsevier Science Ltd, 2013)
The title molecular salt, (E)-2-(1-phenylethylidene) hydrazinecarboximidamide nitrate hemimethanol (C9H13N4+center dot NO3-center dot 0.5CH(4)O), was synthesized and characterized by elemental analysis, FT-IR and NMT ...
Synthesis, spectroscopic characterization, X-ray structure and DFT studies on 2,6-bis(1-benzyl-1H-benzo[d]imidazol-2-yl)pyridine
(Pergamon-Elsevier Science Ltd, 2013)
The title molecule, 2,6-bis(1-benzyl-1H-benzo[d]imidazol-2-yl)pyridine (C33H25N5), was synthesized and characterized by elemental analysis, FT-IR spectroscopy, one- and two-dimensional NMR spectroscopies, and single-crystal ...
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 ...
Structural and spectroscopic characterization of 2-mesityl-1H-benzo[d]imidazol-3-ium chloride: A combined experimental and theoretical analysis
(Pergamon-Elsevier Science Ltd, 2012)
The title molecular salt, 2-mesityl-1H-benzo[d]imidazol-3-ium chloride (C16H17N2+center dot Cl-), was synthesized unexpectedly from the reaction of N-[(1E)-mesitylmethylene]benzene-1.2-diamine and CoCl2 center dot 6H(2)O. ...
The asymmetric ONNO complexes of dioxouranium(VI) with N-1,N-4-diarylidene-S-propyl-thiosemicarbazones derived from 3,5-dichlorosalicylaldehyde: Synthesis, spectroscopic and structural studies
(Pergamon-Elsevier Science Ltd, 2011)
Two uranyl complexes having the composition [UO2(L)DMSO] were synthesized using salicyl- and 3,5-dichlorosalicylaldehyde-S-propyl-thiosemicarbazones as starting materials. The S-propyl-thiosemicarbazidato structures in the ...
Experimental and ab initio computational studies on 4-(1H-benzo[d]imidazol-2-yl)-N,N-dimethylaniline
(Taylor & Francis Ltd, 2010)
The title molecule, 4-(1H-benzo[d]imidazol-2-yl)-N,N-dimethylaniline (C15H15N3), was prepared and characterised by 1H-NMR, 13C-NMR, IR and single-crystal X-ray diffraction. The molecular geometry, vibrational frequencies ...
An experimental and theoretical approach to the molecular structure of 2-{4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl]thiazol-2-yl}isoindoline-1,3-dione
(Springer, 2010)
The title compound, 2-{4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl]thiazol-2-yl}isoindoline-1,3-dione (C24H22N2O2S), was synthesized and characterized by IR-NMR spectroscopy and single-crystal X-ray diffraction. The ...
Synthesis, spectroscopic and structural characterization of cobalt(II) complex with uracil-containing 2,6-diformylpyridine ligand: Theoretical studies on the ligand and pentagonal-bipyramidal [Co(L)(H2O)(2)](2+) and [Zn(L)(H2O)(2)](2+) cations
(Elsevier, 2010)
The title complex, trans-diaqua{5,5'-[(E,E)-pyridine-2,6-diylbis(methylidynenitrilo)]bis-[pyrimidine-2,4 (1H,3H)-dionel)}cobalt(II) bis(hexafluorophosphate) dihydrate [Co(C15H11N7O4) (H2O)(2)]center dot 2(PF6)center dot ...
Quantum-chemical, spectroscopic and X-ray diffraction studies on nickel complex of 2-hydroxyacetophenone thiosemicarbazone with triphenylphospine
(Pergamon-Elsevier Science Ltd, 2010)
Reaction of 2-hydroxyacetophenone thiosemicarbazone with [Ni(PPh(3))(2)Cl(2)] in optimized conditions afforded a mixed ligand complex with an isolated triphenylphosphine molecule. The structure was characterized by elemental ...
Synthesis, spectroscopic characterization, X-ray structure and DFT studies on 4-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium chloride hydrate
(Pergamon-Elsevier Science Ltd, 2011)
The title molecular salt, 4-(2-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-5-ium chloride hydrate (C12H14N3O+.Cl-.H2O), was synthesized and characterized by IR-NMR spectroscopy and single-crystal X-ray ...
