0000000000121986

AUTHOR

José C. Pedregosa

showing 7 related works from this author

Structural, vibrational, thermal and magnetic investigation of novel Co(II), Cu(II), Zn(II) and Hg(II) crystalline metal complexes with 2-amino-5-ben…

2005

Abstract The 2-amino-5-benzylmercapto-1,3,4-thiadiazole (C9H9N3S2) is a low weight model of a protonated copolymer resin used as a metal uptake agent. New monomeric crystalline metal complexes of C9H9N3S2 with Co(II), Cu(II), Zn(II) and Hg(II) were synthesized and investigated in order to facilitate the interpretation of the metal/resin binding mode. These materials have been studied by single crystal X-ray Diffraction and FTIR Spectroscopy at room temperature. Crystal data for these triclinic phases are reported. All frameworks consist of discrete monomeric units that provide crystalline stability through a network of hydrogen bond interactions. The Co(II), Zn(II) and Hg(II) ions are surro…

DenticityHydrogen bondInfrared spectroscopyProtonationGeneral ChemistryCrystal structureTriclinic crystal systemCondensed Matter PhysicsSquare pyramidal molecular geometryCrystallographychemistry.chemical_compoundThioetherchemistryGeneral Materials ScienceJournal of Physics and Chemistry of Solids
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Bis(diethylenetriamine-κ3N)nickel(II) 5-amino-1,3,4-thiadiazole-2-sulfonamidate chloride monohydrate

2000

In the X-ray crystal structure of the title complex, [Ni(C(4)H(13)N(3))(2)](C(2)H(3)N(4)O(2)S(2))Cl.H(2)O, the coordination polyhedron is composed of non-centrosymmetric [Ni(diethylenetriamine)(2)](2+) cations in which the triamine ligands coordinate to the metal centre as tridentate ligands in a facial position. The Ni(II) ions are linked to six N atoms in an octahedral arrangement, slightly compressed in one extreme. The sulfonamide behaves as a counter-ion instead of as a ligand. Important information about the deprotonated sulfonamide group conformation has been obtained.

Models Molecularchemistry.chemical_classificationSulfonamidesStereochemistryLigandchemistry.chemical_elementHydrogen BondingGeneral MedicineCrystal structureCrystallography X-RayMedicinal chemistryGeneral Biochemistry Genetics and Molecular BiologySulfonamidechemistry.chemical_compoundNickelchemistryOctahedronDiethylenetriamineOrganometallic CompoundsAmine gas treatingDiazoCarbonic Anhydrase InhibitorsActa Crystallographica Section C Crystal Structure Communications
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Synthesis and characterization of a Cu(II) complex of 2-benzylmercapto-5- methyl-1,3,4-thiadiazole (C10H10N2S 2)

2008

A Cu(II) complex of 2-benzylmercapto-5-methyl-1,3,4-thiadiazole was synthesized and characterized. The crystal structure of the copper complex and the free ligand were determined by single-crystal X-ray diffraction at room temperature: {[Cu(C10H10N2S2) 2(Cl)2], P1 triclinic, a = 8.1450(2) Å, b = 8.1690(2) Å, c = 10.8180(3) Å, α = 97.4040(12)°, β = 101.6270(11)°, γ = 116.1431(14)°; C10H10N2S2 ligand, Pbca orthorhombic, a = 8.7938(7) Å, b = 9.6491(7) Å, c = 25.3552(18) Å}. The metal complex framework consists of discrete units that provide crystalline stability through a network of van der Waals contacts. The Cu(II) is coordinated by two chloride ions and two 2-benzylmercapto-5-methyl-1,3,4- …

DenticityLigandChemistryCiencias FísicasSPECTROSCOPIC BEHAVIORCrystal structureTriclinic crystal systemCU(II) COMPLEXESMagnetic susceptibilityMAGNETIC BEHAVIORCRYSTAL STRUCTUREMetal2-BENZYLMERCAPTO-5-METHYL-134-THIADIAZOLEAstronomíaCrystallographysymbols.namesakevisual_artMaterials Chemistryvisual_art.visual_art_mediumsymbolsOrthorhombic crystal systemPhysical and Theoretical Chemistryvan der Waals forceCIENCIAS NATURALES Y EXACTAS
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A novel heterocyclic sulfonamide: N-benzyl-5-[N-benzyl-N-(tert-butyloxycarbonyl)amino]-N-(tert-butyloxycarbonyl)-1,3,4-thiadiazole-2-sulfonamide

2000

The title compound, C(26)H(32)N(4)O(6)S(2), is a heterocyclic sulfonamide which is a 1,3,4-thiadiazole derivative. Structural data for this compound are compared with those of related compounds.

chemistry.chemical_classificationchemistry.chemical_compoundchemistryStereochemistryCrystal structureGeneral MedicineDerivative (chemistry)General Biochemistry Genetics and Molecular BiologySulfonamideActa Crystallographica Section C Crystal Structure Communications
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Salts of 5-amino-2-sulfonamide-1,3,4-thiadiazole, a structural and analog of acetazolamide, show interesting carbonic anhydrase inhibitory properties…

2015

Three salts of 5-amino-2-sulfonamide-1,3,4-thiadiazole (Hats) were prepared and characterized by physico-chemical methods. The p-toluensulfonate, the methylsulfonate, and the chlorhydrate monohydrate salts of Hats were evaluated as carbonic anhydrase (CA, EC 4.2.1.1) inhibitors (CAIs) and as anticonvulsants and diuretics, since many CAIs are clinically used as pharmacological agents. The three Hats salts exhibited diuretic and anticonvulsant activities with little neurotoxicity. The human (h) isoforms hCA I, II, IV, VII, IX, and XII were inhibited in their micromolar range by these salts, whereas pathogenic beta and gamma CAs showed similar, weak inhibitory profiles.

medicine.medical_treatmentPharmacology01 natural sciencesIsozymeThiadiazolesCarbonic anhydraseThiadiazolesDrug DiscoverymedicineHumansCarbonic Anhydrase InhibitorsDiureticsPharmacologySulfonamidesbiology010405 organic chemistryChemistrySulfonamide (medicine)NeurotoxicityGeneral Medicinemedicine.disease0104 chemical sciencesAcetazolamideIsoenzymes010404 medicinal & biomolecular chemistryAnticonvulsantbiology.proteinAnticonvulsantsDiureticAcetazolamidemedicine.drug
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Spectroscopic behaviour of metal–drug complexes. Infrared spectra of Cu(II) complexes with 5-amino-1,3,4-thiadiazole-2-thiol (Hatm)

1997

Abstract The infrared spectra of the drug Hatm and its copper (II) complexes with stoichiometry [Cu(atm) 2 (H 2 O)] and [Cu(Hatm)(HIm) 2 (SO 4 )] are reported and discussed. The Raman spectrum of Hatm is also reported. An assignment of Hatm, HIm, H 2 O and SO 4 modes in the complexes is proposed in comparison with the modes of the free ligands. Important information about the metal–ligand vibrations has been obtained.

chemistry.chemical_classificationchemistry.chemical_elementInfrared spectroscopyPhotochemistryCopperMetalsymbols.namesakechemistryvisual_artsymbolsvisual_art.visual_art_mediumThiolPhysical chemistryRaman spectroscopySpectroscopyStoichiometryVibrational Spectroscopy
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Spectroscopic behavior of metal–drug complexes. Infrared spectra of Cu(II) dimer complexes with acetazolamide (H2acm) and an analogue sulfonamide (B-…

1999

Abstract The infrared spectra of the drugs H2acm and B-H2ats, and their copper(II) dimer complexes with stoichiometries [Cu(acm)(NH3)2(OH2)]2·H2O and [Cu(B-ats)(NH3)2]2 are reported and discussed. The Raman spectra of H2acm and B-H2ats are also reported. An assignment of H2acm and B-H2ats modes in the complexes is proposed in comparison with the modes of the free ligands. The spectral modifications due to the deprotonation and coordination effects are analyzed. The ν(N–H) modes of the sulfonamido, carbonamido and Nring–H of the imine tautomer have been accurately assigned. Important information about the S–O and S–N vibrations has been obtained.

chemistry.chemical_classificationDimerIminechemistry.chemical_elementInfrared spectroscopyPhotochemistryTautomerCopperSulfonamideCrystallographychemistry.chemical_compoundsymbols.namesakeDeprotonationchemistrysymbolsRaman spectroscopySpectroscopyVibrational Spectroscopy
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