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Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases
(Elsevier, 2021)
Two new Schiff bases derived from L-cysteine and substituted benzaldehyde were synthesized: the compound 1 [2-((2-chlorobenzylidene) amino)-3-mercaptopropanoic acid] and the compound 2 [3-mercapto-2-((2-methoxybenzylidene) ...
The predicted infrared spectrum of the hypermetallic molecule CaOCa in its lowest two electronic states (X)over-tilde(1)Sigma(+)(g); and (a)over-tilde(3)Sigma(+)(u)
(Elsevier, 2012)
This study of CaOCa is our third paper in a series on Group 2 alkaline-earth M2O hypermetallic oxides. As with our previous calculations for BeOBe and MgOMg, the ab initio calculations we report here show that CaOCa has a ...
The solvent effect on the conformational equilibrium of 1,3-dichloro-5-methylcylclohexane
(Elsevier, 1985)
The conformational equilibrium has been measured for r-1,c-3-dichloro-t-5-methylcyclohexane(2) in six solvents from the 500 MHz and 400 MHz 1H NMR spectra. The room-temperature and low-temperature C1H couplings are used ...
Synthesis, structural characterization, DFT calculations and antiproliferative evaluation of novel spirohydantoin derivatives containing a substituted benzyl moiety
(Elsevier, 2019)
Two series of cycloalkanespiro-5-hydantoins, namely cyclohexanespiro-5-hydantoins and cycloheptanespiro-5-hydantoins with a 4-substituted benzyl or a 2-(4-substituted phenyl)-2-oxoethyl group at N3 position, were synthesized ...
Structural and vibrational analyses of new potential anticancer drug 2-(phenylmethyl)-2-azaspiro[5.11]heptadecane-1,3,7-trione
(Elsevier, 2017)
The establishment of the most stable structures of 2-(phenylmethyl)-2-azaspiro[5.11]heptadecane-1,3,7-trione, potential anticancer and antimicrobial drug has been investigated in this work. A detailed interpretation of ...
X-ray analyses, spectroscopic and magnetic properties of [Cu4(succinato)(tpmc)2](ClO4) 6·2C2H5OH·4H2O and [Cu2(C6H5COO)tpmc](ClO4) 3·0.5CH3OH·0.5H2O complexes
(Elsevier, 2008)
[Cu4(succinato)(tpmc)2](ClO4) 6 · 2H2O (tpmc = N,N′,N″,N‴-tetrakis-(2-pyridylmethyl)-1,4,8,11-tetraa zacyclotetradecane, succinato = dianion of succinic acid) has been prepared and characterized by elemental analysis, ...
Linear free energy relationships of the 1H and 13C NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones
(Elsevier, 2009)
Linear free energy relationships (LFER) were applied to the 1H and 13C NMR chemical shifts in 3-cyano-4-(substituted phenyl)-6-phenyl-2(1H)pyridones. The correlation analysis for the substituent-induced chemical shifts ...
Configurations in unsymmetrically N-methyl-N-substituted 2-phenylacetamides
(Elsevier, 1986)
The syntheses of a various N-methyl-N-substituted 2-phenylacetamides of the general formula PhCH 2 CON(CH 3 )R, wherein, R is ethyl, n-propyl, isopropyl and t-butyl group, were performed. The 1 H n.m.r. spectra of these ...
Preparation, characterization and X-ray analysis of [Co2(Cl)2tpmc](BF4)2. Comparative structural analysis with the complexes having analogous geometries and ligands
(Elsevier, 2007)
A novel binuclear Co(II) complex, [Co2(Cl)2tpmc](BF4)2 (tpmc = N,N′,N″,N‴-tetrakis(2-pyridylmethyl)-1,4,8,11-tetraaz acyclotetradecane), was prepared and structurally characterized by X-ray diffraction analysis at low ...
Binuclear biologically active Co(II) complexes with octazamacrocycle and aliphatic dicarboxylates
(Elsevier, 2012)
Four new cationic Co(II) complexes with N,N',N '',N'''-tetrakis (2-pyridylmethyl)-1,4,8,11-tetraazacyclotetradecane (tpmc) and dianion of one the aliphatic dicarboxylic acids: butanedioic acid (succinic) acid = succH(2), ...