Search results for "Semicarbazone"

showing 10 items of 23 documents

CCDC 685749: Experimental Crystal Structure Determination

2009

Related Article: P.Gomez-Saiz, R.Gil-Garcia, M.A.Maestro, J.L.Pizarro, M.I.Arriortua, L.Lezama, T.Rojo, M.Gonzalez-Alvarez, J.Borras, J.Garcia-Tojal|2008|J.Inorg.Biochem.|102|1910|doi:10.1016/j.jinorgbio.2008.06.015

(mu~2~-Pyrazine)-bis(pyridine-2-aldehyde thiosemicarbazone)-di-copper(ii) diperchlorateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Revisiting the thiosemicarbazonecopper(II) reaction with glutathione. Activity against colorectal carcinoma cell lines.

2018

Thiosemicarbazones (TSCs), and their copper derivatives, have been extensively studied mainly due to the potential applications as antitumor compounds. A part of the biological activity of the TSC-CuII complexes rests on their reactivity against cell reductants, as glutathione (GSH). The present paper describes the structure of the [Cu(PTSC)(ONO2)]n compound (1) (HPTSC =pyridine-2-carbaldehyde thiosemicarbazone) and its spectroscopic and magnetic properties. ESI studies performed on the reaction of GSH with 1 and the analogous [{Cu (PTSC*)(ONO2)}2] derivative (2, HPTSC* =pyridine-2-carbaldehyde 4N-methylthiosemicarbazone) show the absence of peaks related with TSC-Cu-GSH species. However GS…

Aparato digestivo-EnfermedadesThiosemicarbazonesSpectrometry Mass Electrospray IonizationColorectal cancerColon carcinoma010402 general chemistryCrystallography X-RayThiosemicarbazone01 natural sciencesBiochemistryInorganic Chemistrychemistry.chemical_compoundColon carcinomaCell Line TumorSpectroscopy Fourier Transform InfraredmedicineHumansMolecular magnetismDigestive organs-DiseasesMolecular Structure010405 organic chemistryChemistryMyoglobinCytochromes cGlutathioneChemistry Inorganicmedicine.diseaseMolecular biologyGlutathioneQuímica inorgánica0104 chemical sciencesCell cultureDrug Screening Assays AntitumorColorectal NeoplasmsCopperJournal of inorganic biochemistry
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Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media

2013

This work provides structural evidence for different desulfurization processes in aqueous solutions of [CuL]+ derivatives (HL = pyridine-2-carbaldehyde thiosemicarbazone). Structural resolution has been achieved for the [{CuL(SH)}2] (1), [CuLCl]2[Cu(pic)2] (pic− = picolinato, pyridine-2-carboxilato) (2) and [Cu(HL)(NCS)](NO3) (4) compounds, together with a derivative of 4 with formula [Cu(HL)(NCS)][Cu(HL)(NCS)0.72(NO3)0.28](NO3)2 (5), whose HS−, pic− and NCS− ligands come from thiosemicarbazone breakage. The behaviour of the [CuL]+ species in basic aqueous solutions or water under reflux has been compared with that exhibited by iron(III), cobalt(III), zinc(II) and lead(II) derivatives of th…

Aqueous solutionLigandStereochemistryInfrared spectroscopychemistry.chemical_elementGeneral ChemistryCrystal structureZincMass spectrometryMedicinal chemistryCatalysischemistry.chemical_compoundchemistryMaterials ChemistrySemicarbazoneCobaltNew Journal of Chemistry
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Synthesis, Characterization, and Properties of Some Copper( II ) Complexes of 2‐Pyridineformamide Thiosemicarbazone (HAm4DH)

2006

Reactions between different copper(II) salts and 2-pyridineformamide thiosemicarbazone (HAm4DH) in neutral ethanolic media led to the formation of complexes with the formulae [Cu(HAm4DH)X2] (X = Cl or Br) (1, 2) and [Cu(HAm4DH)2]X2 (X = NO3 or ClO4) (3, 4). The same reactions carried out in the presence of triethylamine gave rise to new complexes with the general formulae [Cu(Am4DH)X] (X = Cl, Br, AcO, or NO3) (5–8), [Cu(H2O)(Am4DH)](ClO4) (9), and [Cu(Am4DH)2] (10), many of which were isolated with different molecules of crystallization and contain a deprotonated thiosemicarbazone (Am4DH). These complexes were characterized by elemental analysis, and different spectroscopic and magnetic te…

ChemistryInorganic chemistrychemistry.chemical_elementCopperInorganic ChemistryMetalCrystallographychemistry.chemical_compoundDeprotonationOctahedronvisual_artHalogenvisual_art.visual_art_mediumMoleculeTriethylamineSemicarbazoneEuropean Journal of Inorganic Chemistry
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Synthesis and characterization of alumina R chemically modified withn-octyl for use as a stationary phase in TLC

2003

A stationary phase for thin-layer chromatography has been prepared by attaching 1-octene to alumina R. This stationary phase has been characterized by elemental analysis, measurement of specific surface area, IR spectroscopy, and by chromatographic testing.

ChromatographyClinical BiochemistryInfrared spectroscopyReversed-phase chromatographyBiochemistryThin-layer chromatographyAnalytical ChemistryCharacterization (materials science)chemistry.chemical_compoundColumn chromatographychemistryElemental analysisSpecific surface areaSemicarbazoneJournal of Planar Chromatography – Modern TLC
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Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.

2015

A series of original spiropyrrolizidine derivatives has been prepared by a one-pot three-component [3 + 2] cycloaddition reaction of (E)-3-arylidene-1-phenyl-pyrrolidine-2,5-diones, l-proline, and the cyclic ketones 1H-indole-2,3-dione (isatin), indenoquinoxaline-11-one and acenaphthenequinone. We disclose an unprecedented isomerization of some spiroadducts leading to a new family of spirooxindolepyrrolizidines. Furthermore, these cycloadducts underwent retro-1,3-dipolar cycloaddition yielding unexpected regioisomers. Upon treatment of the dipolarophiles with in situ generated azomethine ylides from l-proline or acenaphthenequinone, formation of spiroadducts and unusual polycyclic fused pip…

IsatinThiosemicarbazonesStereochemistryAzomethine ylideStereoisomerism010402 general chemistry01 natural sciencesPiperazineschemistry.chemical_compoundX-Ray DiffractionStructural isomerSpiro CompoundsComputingMilieux_MISCELLANEOUSPyrrolizidine AlkaloidsCycloaddition Reaction010405 organic chemistryHydrogen bondIsatinOrganic ChemistryStereoisomerismCycloaddition0104 chemical sciencesKineticschemistryCyclizationQuantum TheoryStereoselectivity[PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph]IsomerizationAzo CompoundsThe Journal of organic chemistry
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A DFT study of [3 + 2] cycloaddition reactions of an azomethine imine with N-vinyl pyrrole and N-vinyl tetrahydroindole

2016

The mechanism and selectivities of the [3+2] cycloaddition (32CA) reactions of azomethine imine (AI) 8 with two N-vinyl five-membered heterocycles (NVFH), 9a and 9b, have been theoretically studied using DFT methods at the MPWB1K/6-31G(d) computational level. The possible ortho/meta regio- and endo/exo stereoselective channels were explored and characterised. The low polar character of these 32CA reactions, which is the consequence of the high nucleophilic character of both reagents, as well as the non-effective reactivity of these NVFH as nucleophiles, accounts for the high calculated activation energies, 16.1 (9a) and 16.8 (9b) kcalmol-1 in chlorobenzene. Analysis of the relative electron…

Models MolecularThiosemicarbazonesIndolesVinyl CompoundsStereochemistryEntropyImineMolecular ConformationElectrons010402 general chemistry01 natural sciencesMedicinal chemistrychemistry.chemical_compoundNucleophileMaterials ChemistryPyrrolesPhysical and Theoretical ChemistrySpectroscopyPyrroleCycloaddition Reaction010405 organic chemistryRegioselectivityStereoisomerismComputer Graphics and Computer-Aided DesignCycloaddition0104 chemical scienceschemistryChlorobenzeneReagentQuantum TheoryIndicators and ReagentsStereoselectivityIminesAzo CompoundsJournal of Molecular Graphics and Modelling
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A Molecular Electron Density Theory Study of the Reactivity of Azomethine Imine in [3+2] Cycloaddition Reactions

2017

The electronic structure and the participation of the simplest azomethine imine (AI) in [3+2] cycloaddition (32CA) reactions have been analysed within the Molecular Electron Density Theory (MEDT) using DFT calculations at the MPWB1K/6-311G(d) level. Electron localisation function (ELF) topological analysis reveals that AI has a pseudoradical structure, while the conceptual DFT reactivity indices characterise this TAC as a moderate electrophile and a good nucleophile. The non-polar 32CA reaction of AI with ethylene takes place through a one-step mechanism with low activation energy, 5.3 kcal/mol-1. A bonding evolution theory (BET) study indicates that this reaction takes place through a non-…

Models MolecularThiosemicarbazones[3+2] cycloaddition reactionsImineMolecular Conformationmolecular mechanismsazomethine iminePharmaceutical ScienceElectronsElectronic structureActivation energy010402 general chemistry01 natural sciencesArticlebonding evolution theoryAnalytical Chemistrychemistry.chemical_compoundNucleophileComputational chemistryDrug Discoveryconceptual density functional theoryMoleculeReactivity (chemistry)organic_chemistryelectron densityPhysical and Theoretical Chemistryazomethine imine; [3+2] cycloaddition reactions; molecular electron density theory; conceptual density functional theory; electron localisation function; bonding evolution theory; electron density; molecular mechanisms; chemical reactivityCycloaddition ReactionMolecular Structure010405 organic chemistrymolecular electron density theoryOrganic ChemistryCycloaddition0104 chemical scienceschemistryChemistry (miscellaneous)ElectrophileQuantum TheoryThermodynamicsMolecular MedicineDensity functional theoryImineselectron localisation functionAzo Compoundschemical reactivityMolecules; Volume 22; Issue 5; Pages: 750
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Anion modulated structural variations in copper(II) complexes with a semicarbazone Schiff base: Synthesis, characterization and self assembly

2014

Abstract Two copper(II) complexes, [Cu(L)N3]n (1) and [Cu(HL)2](I3)ClO4 (2), where HL = 2-pyridylaldehydesemicarbazone, have been prepared and characterized by elemental analysis, IR and UV–Vis spectroscopy and single crystal X-ray diffraction studies. Complex 1 crystallizes in monoclinic space group P21/a, whereas, complex 2 crystallizes in triclinic space group P-1. Complex 1 is a stair-like coordination polymer with square pyramidal geometry of copper(II), whereas, complex 2 is a mononuclear cationic bis-ligand complex of octahedral copper(II). Lower coordination ability of tri-iodide or perchlorate compared to azide may be related with variations of the structures of the complexes.

Schiff baseChemistryStereochemistryCoordination polymerchemistry.chemical_elementTriclinic crystal systemCopperSquare pyramidal molecular geometryInorganic ChemistryPerchloratechemistry.chemical_compoundCrystallographyMaterials ChemistryAzidePhysical and Theoretical ChemistrySemicarbazoneta116Polyhedron
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5,5′-Bis-vanillin derivatives as discriminating sensors for trivalent cations

2015

[EN] Several bis-vanillin derivatives containing semicarbazone moieties have been prepared and used in discriminating trivalent cations. The prepared probes are readily obtained and they are usually highly crystalline. Depending on the ligand and the studied cations, quenching, enhancement or no changes in the fluorescence spectrum were observed. Using a series of the prepared ligands allows distinguishing between Fe3+, Cr3+ and Al3+. Detection limits and selectivity in front of divalent cations have been evaluated. (C) 2015 Elsevier Ltd. All rights reserved.

SemicarbazoneBIS-VAINILLINVanillinOrganic ChemistryInorganic chemistryCiencias QuímicasTrivalent cationsChemosensorBiochemistryFluorescencechemistry.chemical_compoundQuímica OrgánicachemistrySensingDrug DiscoveryOrganic chemistryBis-vanillinSemicarbazoneCIENCIAS NATURALES Y EXACTASTetrahedron Letters
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