Search results for "medicinal"

showing 10 items of 2966 documents

Crystal structure of chlorido-{4,5-dimeth-oxy-2-[(2,3-η)-2-prop-2-en-1-yl]phenyl-κC (1)}(piperidine-κN)platinum(II) ethanol monosolvate

2014

The title platinum(II) complex shows a trigonal–bipyramidal coordination and inter­molecular C—H⋯Cl, C—H⋯π and (C/O)—H⋯O hydrogen bonds.

crystal structureEthanolChemistryHydrogen bondchemistry.chemical_elementGeneral ChemistryCrystal structuremethyl­eugenolCondensed Matter Physicshydrogen bondingMedicinal chemistryResearch CommunicationsCrystallcsh:Chemistrychemistry.chemical_compoundmethyleugenollcsh:QD1-999General Materials SciencePiperidinePlatinumplatinum(II) complex
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A Simple Complex on the Verge of Breakdown: Isolation of the Elusive Cyanoformate Ion

2014

Cyanide Hitches a Ride Cyanide is a by-product of the biosynthesis of ethylene in plants and it has been somewhat puzzling how the ion is safely removed before it can shut down enzymatic pathways by coordination to catalytic iron centers. A proposed mechanism has implicated the cyanoformate ion—essentially, a weak adduct of cyanide and carbon dioxide—as the initial product, although its lifetime was uncertain. Murphy et al. (p. 75 ; see the Perspective by Alabugin and Mohamed ) crystallized this previously elusive adduct and found that its solution-phase stability varies inversely with the dielectric properties of the medium. The results bolster a picture in which the adduct shuttles the cy…

crystal structureEthyleneMagnetic Resonance SpectroscopyFormateskemiallinen sitoutuminenCyanideMineralogykiderakenneMedicinal chemistryIonCatalysisAdductchemistry.chemical_compoundsyanoformaattiX-Ray DiffractionCatalytic DomainNitrilesta116MultidisciplinaryAqueous solutionCyanidesMolecular StructureChemistrychemical bondingCarbon DioxideEthylenesThermodynamicsAmino Acid OxidoreductasescyanofrmateCrystallizationShut downScience
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Crystal structure and computational study of 3,4-dihydroxy-3-hydroxymethyl-9-methyl-6-methylidene-3a, 4,5,6,6a, 9,9a, 9b-octahydroazuleno[4,5-b]furan…

2015

WOS: 000370762300147

crystal structureHOMOLUMOMOPACPM3Crystal structureRing (chemistry)BioinformaticsMedicinal chemistryCentaurea polypodiifoliaCNDOResearch CommunicationsCrystalCNDO/2theoretical investigationchemistry.chemical_compoundFuranGeneral Materials SciencePhysics::Chemical PhysicsHOMO/LUMOQuantitative Biology::Biomoleculescynarinin ACrystallographyHydrogen bondGeneral ChemistryCondensed Matter PhysicschemistryQD901-999
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Dibromido[N-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-N′-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate

2019

In the molecule of the title N,N′-disubstituted imidazol-2-ylidene palladium(II) complex, [PdBr2(C21H24N4O)]·CH2Cl2, the palladium(II) atom adopts a slightly distorted square-planar coordination (r.m.s. deviation = 0.0145 Å), and the five-membered chelate ring is almost planar [maximum displacement = 0.015 (8) Å]. The molecular conformation is enforced by intramolecular C—H...Br hydrogen bonds. In the crystal, complex molecules and dichloromethane molecules are linked into a three-dimensional network by C—H...O and C—H...Br hydrogen bonds.

crystal structureHydrogen bondchemistry.chemical_element02 engineering and technologyGeneral MedicineCrystal structure010402 general chemistry021001 nanoscience & nanotechnologyRing (chemistry)palladium01 natural sciencesMedicinal chemistryMethane0104 chemical scienceschemistry.chemical_compoundchemistrylcsh:QD901-999Chelationlcsh:Crystallography0210 nano-technologyMaximum displacementimidazol-2-ylidenePalladiumIUCrData
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N-Methyl-4-(4-nitrophenyl)-N-nitroso-1,3-thiazol-2-amine

2017

The title compound, C10H8N4O3S, is almost planar [dihedral angle between the rings = 2.2 (2)°; r.m.s. deviation for the non-H atoms = 0.050 Å]. In the crystal, C—H...O and C—H...N hydrogen bonds link the molecules into (10-2) layers.

crystal structureHydrogen bondthia­zoleNitrosoCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesMedicinal chemistry0104 chemical sciencesCrystalchemistry.chemical_compoundN-nitro­saminesN-nitrosamineschemistrylcsh:QD901-999NitroAmine gas treatinglcsh:CrystallographyThiazolethiazoleIUCrData
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6-Amino-2-iminiumyl-4-oxo-1,2,3,4-tetrahydropyrimidin-5-aminium sulfate monohydrate

2019

The title compound, C4H9N5O2+·SO4 2−·H2O, is the monohydrate of the commercially available compound `C4H7N5O·H2SO4·xH2O'. It is obtained by reprecipitation of C4H7N5O·H2SO4·xH2O from dilute sodium hydroxide solution with dilute sulfuric acid. The crystal structure of anhydrous 2,4,5-triamino-1,6-dihydropyrimidin-6-one sulfate is known, although called by the authors 5-amminium-6-amino-isocytosinium sulfate [Bieri et al. (1993). Private communication (refcode HACDEU). CCDC, Cambridge, England]. In the structure, the sulfate group is deprotonated, whereas one of the amino groups is protonated (R 2C—NH3 +) and one is rearranged to a protonated imine group (R 2C=NH2 +). This arrangement is very…

crystal structureHydrogen bondtriaminodihydropyrimidinoneImineSulfuric acidProtonationCrystal structureTautomerMedicinal chemistrychemistry.chemical_compoundDeprotonationchemistryhydrogen bondslcsh:QD901-999lcsh:CrystallographySulfateIUCrData
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A tetranuclear cubane-like nickel(II) complex with a tridentate salicylideneimine Schiff base ligand: tetrakis[μ3-4-methyl-N-(2-oxidophenyl)salicylid…

2016

The tetranuclear title complex, [Ni4(C14H11NO2)4(CH3OH)4]·0.8CH3OH, has a distorted cubane topology shaped by four Schiff base ligands. The cubane [Ni4(μ3-O4)] core is formedviathe O atoms from the Schiff base ligands. The octahedrally coordinated NiIIions occupy alternating vertices of the cube. Each NiIIion is coordinated by oneO,N,O′-tridentate dianionic ligand, two O atoms of oxidophenyl groups from adjacent ligands and the O atom of a coordinating methanol molecule. The cubane core is stabilizedviaan intramolecular O—H...O hydrogen bond between the hydroxy group of the coordinating methanol molecules and the phenolate O atom of the aldehyde Schiff base fragment. Additional stabilizatio…

crystal structureImineCrystal structure010402 general chemistry010403 inorganic & nuclear chemistryPhotochemistry01 natural sciencesAldehydeMedicinal chemistrychemistry.chemical_compoundGeneral Materials Sciencechemistry.chemical_classificationSchiff baseCrystallographybiologyHydrogen bondLigandcrystal structure ; nickel cubane-like tetra­mers ; Schiff bases.General ChemistryCondensed Matter Physicsbiology.organism_classification0104 chemical sciencesnickel cubane-like tetramerschemistryCubaneQD901-999TetraSchiff basesActa Crystallographica Section E: Crystallographic Communications
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{Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)

2018

In the structure of title borohydride pincer complex, [Co(BH4)(C16H37NP2)(CO)], the cobalt(I) metal exhibits a distorted square-pyramidal coordination geometry with the basal positions occupied by the P and N atoms of the tridentate ligand and by the C atom of the carbon monoxide ligand. In the crystal, molecules interact only by van der Waals forces.

crystal structureLigandchemistry.chemical_elementcolbalt pincer complesCrystal structure010402 general chemistry010403 inorganic & nuclear chemistryBorohydride01 natural sciencesMedicinal chemistry0104 chemical sciencesPincer movementchemistry.chemical_compoundchemistryborohydridelcsh:QD901-999Amine gas treatinglcsh:CrystallographyCobaltCarbon monoxideCoordination geometryIUCrData
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Crystal structure of chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κN]ethyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)rhodium(III) chloride

2015

The title compound, [Rh(η5-C5Me5)Cl(C13H12ClN3)]Cl, is chiral at the metal and crystallizes as a racemate. Upon coordination, the hydrazinyl­idene­pyridine ligand is non-planar, an angle of 54.42 (7)° being observed between the pyridine ring and the aromatic ring of the [2-(4-chloro­phen­yl)hydrazin-1-yl­idene]ethyl group.

crystal structureNanotechnologyCrystal structureRing (chemistry)Medicinal chemistryResearch CommunicationsMetalpenta­methyl­cyclo­penta­dien­yllcsh:Chemistrychemistry.chemical_compoundPyridinepiano-stool geometryGeneral Materials SciencepentamethylcyclopentadienylEthyl grouprhodium(III) complexN—H⋯Cl hydrogen bondHydrogen bondLigandGeneral ChemistryRhodium(III) chlorideN—H...Cl hydrogen bondCondensed Matter Physicschemistrylcsh:QD1-999visual_artvisual_art.visual_art_mediumActa Crystallographica Section E: Crystallographic Communications
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Crystal structure oftrans-dichloridobis[N-(5,5-dimethyl-4,5-dihydro-3H-pyrrol-2-yl-κN)acetamide]palladium(II) dihydrate

2017

The title complex, [PdCl2(C8H14N2O)2]·2H2O, was obtained by N–O bond cleavage of the oxadiazoline rings of thetrans-[dichlorido-bis(2,5,5-trimethyl-5,6,7,7a-tetrahydropyrrolo[1,2-b][1,2,4]oxadiazole-N1)]palladium(II) complex. The palladium(II) atom exhibits an almost square-planar coordination provided by twotrans-arranged chloride anions and a nitrogen atom from each of the two neutral organic ligands. In the crystal, N—H...O, O—H...O and O—H...Cl hydrogen bonds link complex molecules into double layers parallel to thebcplane.

crystal structureNitrileInorganic chemistrychemistry.chemical_elementCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesMedicinal chemistryNitronechemistry.chemical_compoundGeneral Materials ScienceN—O bond cleavageta116cycloadditionBond cleavagenitronechemistry.chemical_classificationCrystallographynitrileChemistryHydrogen bondGeneral Chemistrypalladiumcyclo­additionCondensed Matter PhysicsCycloaddition0104 chemical sciencesQD901-999AcetamidePalladiumActa Crystallographica Section E Crystallographic Communications
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