Search results for " Geometry"

showing 10 items of 2294 documents

Organotin(IV) derivatives with 5,7-disubstituted-1,2,4-triazolo[1,5-a]pyrimidine and their cytotoxic activities: The importance of being conformers

2014

Abstract The organotin(IV) compounds Me2SnCl2(dbtp)(1), Me2SnCl2(dbtp)2 (2), Et2SnCl2(dbtp) (3), Et2SnCl2(dbtp)2 (4), Et2SnCl2(dptp) (5), nBu2SnCl2(dbtp)2 (6), nBu2SnCl2(dptp) (7), Ph2SnCl2(dbtp) (8), Ph2SnCl2(EtOH)2(dptp)2 (9), where dbtp = 5,7-di-tert-butyl-1,2,4-triazolo[1,5-a]pyrimidine and dptp = 5,7-diphenyl-1,2,4-triazolo [1,5-a]pyrimidine, have been tested by MTT for their cytotoxic activity on three tumor cell lines, HepG2 (human hepatocellular carcinoma), HeLa (human cervix adenocarcinoma) and MCF-7 (human breast cancer). Except for 1 and 2, which were ineffective, all compounds significantly showed a dose-dependent anti-proliferative effect against the three cell lines. By calcul…

DenticityPyrimidinebiologyStereochemistryAcridine orangeCrystal structureorganotin(iv)biology.organism_classificationInorganic ChemistryHeLachemistry.chemical_compoundTrigonal bipyramidal molecular geometrycrustalli structurechemistrySettore CHIM/03 - Chimica Generale E InorganicaSettore BIO/10 - Biochimicain vitro anticancer acetivi tuMaterials ChemistryPhysical and Theoretical ChemistryEthidium bromideConformational isomerismtriazolipyrimidineTriazolopyrimidine Organotin(IV) Apoptosis In vitro anticancer activity Crystal structureapprossimativaInorganica Chimica Acta
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Topological control of the spin coupling in dinuclear copper(II) complexes with meta- and para-phenylenediamine bridging ligands

2010

Abstract A novel series of copper(II) complexes of formula [Cu(tren)(mpda)](ClO4)2 · 1/2H2O (1), [Cu2(tren)2(mpda)](ClO4)4 · 2H2O (2), and [Cu2(tren)2(ppda)](ClO4)4 · 2H2O (3) containing the tetradentate tris(2-aminoethyl)amine (tren) terminal ligand and the potentially bridging 1,n-phenylenediamine [n = 3 (mpda) and 4 (ppda)] ligand have been prepared and spectroscopically characterized. X-ray diffraction on single crystals of 1 and 3 show the presence of mono- (1) and dinuclear (3) copper(II) units where the mpda (1) and ppda (3) ligands adopt terminal monodentate (1) and bridging bis(monodentate) (3) coordination modes toward [Cu(tren)]2+ cations with an overall non-planar, orthogonal di…

DenticitySpin polarizationSpin statesChemistryStereochemistryLigandchemistry.chemical_elementCopperMagnetic susceptibilityInorganic ChemistryTrigonal bipyramidal molecular geometryCrystallographyMaterials ChemistrySinglet statePhysical and Theoretical ChemistryInorganica Chimica Acta
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Mono-organotin(IV) and tin(IV) derivatives of 2-mercaptopyridine and 2-mercaptopyrimidine: X-ray structures of methyl-tris(2-pyridinethiolato)tin(IV)…

1997

Mono-organotin(IV) and tin(IV) derivatives of 2-mercaptopyridine (HSPy) and 2-mercaptopyrimidine (HSPym), RSnL 3 (R=Me, n-Bu, Ph; L=SPy, SPym; R=Bz=benzyl, o-CIBz, oClC 6 H 4 , p-ClC 6 H 4 , o-tolyl, p-tolyl; L=SPy), RSnCIL 2 (R=Me, n-Bu, Ph; L=SPy, SPym), RSnCI 2 L (R=Me, n-Bu; L=SPy, SPym) and SnCI 4-n L n (L=SPy, SPym; n=2,4) were obtained from RSnCI 3 or SnCI 4 and NaL or by neutralization (R=Ph,p-tolyl; L=SPy, SPym). RSnCIL 2 and RSnCI 2 L were better prepared by comproportionation of RSnCI 3 and RSnL 3 . MeSn(Spy) 3 and PhSn(SPy) 3 .1.5CHCI 3 crystals, as determined by single-crystal X-ray diffraction, are monoclinic. In the discrete monomeric RSn(SPy) 3 units, three bidentate SPy lig…

DenticityStereochemistry2-Mercaptopyridinechemistry.chemical_elementGeneral ChemistryComproportionationCrystal structureInorganic ChemistryTrigonal bipyramidal molecular geometrychemistry.chemical_compoundCrystallographyPentagonal bipyramidal molecular geometryOctahedronchemistryTinApplied Organometallic Chemistry
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Structural properties and applications of multidentate [O,N,O,X'] aminobisphenolate metal complexies

2012

Abstract Aminobisphenols with side-arm donors are versatile tetradentate ligands that effectively coordinate to the metal ions in a tripodal fashion. Most of the metal ions form electrically neutral isolable complexes with aminobisphenolates with different side chains. However, some anionic complexes and zwitterions are also described. The coordination geometry of the metal centre can be controlled by the ligand design. Especially, the ortho -substituents of the phenolate moieties as well as the nature of side-arm donor influence the structure and reactivity of the complexes formed. Depending on the metal ion and the ligand environment, the complexes formed can be monomeric or dimeric ones.…

DenticityStereochemistryChemistryLigandMetal ions in aqueous solutionNon-innocent ligandInorganic ChemistryMetalCrystallographyvisual_artMaterials Chemistryvisual_art.visual_art_mediumReactivity (chemistry)Physical and Theoretical ChemistryMetal aquo complexta116Coordination geometryCoordination Chemistry Reviews
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New coordination polymer based on a triply bridged dicarboxylate ligand: Synthesis, structure, and magnetic properties of the adipato complex [Cu4(bp…

2007

International audience; One-pot reaction of copper(II) chloride dihydrate CuCl2 · 2H2O with 2,2′-bipyridyl (bpy = C10H8N2) in the presence of sodium adipate Na2adip (adip2− = [O2C(CH2)4CO2]2−) and potassium 1,1,3,3-tetracyano-2-ethoxypropenide (tcnoet− = [(NC)2CC(OEt)C(CN)2]−) gives the new compound [Cu4(bpy)4(adip)3](tcnoet)2 · 2H2O (1), which was characterized by single crystal X-ray diffraction analysis. The Cu(II) metal ion presents an elongated square pyramidal CuN2O3 environment, with an oxygen atom in apical position and a base plane involving almost equivalent bond lengths. The structure can be described as a pseudo dinuclear species in which two Cu(bpy) units are triply bridged by …

DenticityStereochemistryCoordination polymer[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistry01 natural sciencesInorganic Chemistrychemistry.chemical_compoundAdipateMagnetic propertiesMaterials Chemistry[CHIM]Chemical Sciences[CHIM.COOR]Chemical Sciences/Coordination chemistryCarboxylatePhysical and Theoretical Chemistry010405 organic chemistryLigandLadder-like structureSodium adipateAdipato complexesSquare pyramidal molecular geometry0104 chemical sciencesBond lengthCrystallographyPolynitrilechemistryCopper complexes
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[Cr(bpym)(C2O4)2]− in designing heterometallic complexes. Crystal structures and magnetic properties of PPh4[Cr(bpym)(C2O4)2]·H2O and [Ag(bpym)][Cr(C…

2002

Abstract The preparation, crystal structure and magnetic properties of PPh 4 [Cr(bpym)(C 2 O 4 ) 2 ]·H 2 O ( 1 ) and [Ag(bpym)][Cr(C 2 O 4 ) 2 (H 2 O) 2 ]·2H 2 O ( 2 ) (C 2 O 4  2− =oxalate dianion, bpym=2,2′-bipyrimidine and PPh 4  + =tetraphenylphosphonium cation) are described. The structure of 1 is made up of discrete (2,2′-bipyrimidine)bis(oxalato)chromate(III) anions, teraphenylphosphonium cations and uncoordinated water molecules. The structure of 2 consists chains of univalent silver cations bridged by bis-chelating 2,2′-bypyrimidine, cis -diaquabis(oxalato)chromate(III) anions and crystallisation water molecules. The chromium atom in 1 and 2 has a slightly distorted octahedral geom…

DenticityStereochemistryCrystal structureMagnetic susceptibilityOxalateInorganic ChemistryBond lengthchemistry.chemical_compoundCrystallographychemistryOctahedral molecular geometryMaterials ChemistryMoleculeAntiferromagnetismPhysical and Theoretical ChemistryInorganica Chimica Acta
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Electronic properties and crystal structure of aqua (mepirizole-oxalato)copper(II)monohydrate: [Cu(C11H14N4O2)C2O4·H2O]H2O

1988

Abstract A Cu(ll) complex with mepirizole: 4-methoxy-2-(5-methoxy-3-methyl-pyrazoll-yl)-6-methylpyrimidine (L) and oxalate as ligands with the formula [CuL(C2O4)(H2O)]·H2O has been synthesized. The crystal structure has been determined by X-ray diffraction analysis: monoclinic, space group P21/n, Z = 4, a = 7.707(1), b = 14.951(3), c = 14.986(2) A,β = 92.40(2)°, V = 1725.2(8) A3, Dm = 1.61(1) g cm−3, Dc = 1.62 g cm−3, R = 0.032 and Rw = 0.035 for 2016 observed reflections. The CuN2O2O′chromophore can be described as square pyramidal strongly distorted towards trigonal bipyramidal. The basal coordination positions are occupied by the two oxygen atoms of the bidentate oxalate group, the coord…

DenticityStereochemistryCrystal structureOxalateSquare pyramidal molecular geometryInorganic Chemistrychemistry.chemical_compoundTrigonal bipyramidal molecular geometryCrystallographychemistryX-ray crystallographyMaterials ChemistryCarboxylatePhysical and Theoretical ChemistryMonoclinic crystal systemPolyhedron
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Organometallic complexes with biological molecules, IV. Di- and tri-organotin(IV) amoxicillin derivatives: Solid-state and solution-phase spectroscop…

1995

Novel di- and tri-organotin(IV) derivatives of amoxicillin (amoxicillin - =Amox - =6-[D(-)-β-amino-p-hydroxyphenylacetamido] penicillinate) have been prepared. The isolated compounds showed stoichiometries of the type R 2 SnClAmox.2H 2 O, R 3 SnClAmoxNa.2H 2 O and R 2 SnAmox 2 .2H 2 O (R=Me, Bu, Ph). The infrared spectra suggest that Amox − , in both R 2 SnClAmox.2H 2 O and R 2 SnAmox 2 .2H 2 O, behaves as a monoanionic bidentate ligand, coordinating the tin(IV) atom through the ester-type carboxylate, as well as through the lactamic carbonyl. In R 3 SnClAmoxNa.2H 2 O, Amox - coordinates the organotin(IV) moieties through the lactamic carbonyl. In all of the compounds, water molecules are n…

DenticityStereochemistryInfrared spectroscopyGeneral ChemistryNuclear magnetic resonance spectroscopyInorganic ChemistryCrystallographyTrigonal bipyramidal molecular geometryBipyramidchemistry.chemical_compoundchemistryCarboxylateCoordination geometryAntibacterial agentApplied Organometallic Chemistry
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Cobalt(II) and copper(II) assembling through a functionalized oxamate-type ligand

2014

Two new metal complexes of formula {[Co(Hpcpa)(H2O)3]n� 3/2nH2O} (1) and [Cu2(MeHpcpa)4(MeOH)2] � H2O� 3.68 MeOH (2 )[ H 3pcpa = N-(4-carboxyphenyl)oxamic acid and MeH2pcpa = methyl ester derivative of H3pcpa] have been synthesized and their structures determined by X-ray diffraction. 1 is a neutral zigzag chain of cobalt(II) ions bridged by Hpcpa 2� ligands exhibiting the bidentate/monodentate coordination mode. Each cobalt(II) ion is six-coordinate with three mer positioned water molecules, two oxamate-oxygens from a Hpcpa 2� ligand and a carboxylate-oxygen from another Hpcpa 2� group building a somewhat distorted octahedral surrounding. The intrachain cobalt–cobalt separation is 11.326(2…

DenticityStereochemistryLigandchemistry.chemical_elementCrystal structureCopperSquare pyramidal molecular geometryInorganic ChemistryCrystallographyOctahedronchemistryMaterials ChemistryMoleculePhysical and Theoretical ChemistryCobaltPolyhedron
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Copper(II) assembling with bis(2-pyridylcarbonyl)amidate and N,N'-2,2-phenylenebis(oxamate).

2013

We herein present the synthesis and X-ray structures of five copper(II) complexes of formulae [Cu(bpca)(CF3SO3)(H2O)]·H2O (1), [Cu(bpca)(Phpr)(H2O)]·3/2H2O (2), {[Cu(bpca)]2[Cu(opba)(H2O)]}·H2O (3), {[Cu(bpca)]2(H2opba)}2·6H2O (4) and [Cu(bpca)(EtH2opba)]n (5), where bpca = bis(2-pyridylcarbonyl)amidate, Phpr = 3-phenylpropionate, CF3SO3(−) = triflate (anion of the trifluoromethanesulphonic acid), H4opba = N,N′-1,2-phenylenebis(oxamic acid), and EtH3opba = monoethyl ester derivative of the H4opba. 1 and 2 are mononuclear copper(II) complexes where the copper atom is five-coordinate in distorted square pyramidal surroundings with a tridentate bpca and a water molecule (1)/carboxylate oxygen …

DenticityStereochemistrychemistry.chemical_elementCopperSquare pyramidal molecular geometryInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryOctahedronSquare pyramidMoleculeCarboxylateTrifluoromethanesulfonateDalton transactions (Cambridge, England : 2003)
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