Search results for "stereo"

showing 10 items of 6147 documents

Crystal structure of bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]bis(thiocyanato-κS)copper(II)

2016

The structure of the title compound is similar to that of the related complexes [Co(C12H8N4S)2(N3)2] and [Ni(C12H8N4S)2(N3)2] in which the azide ion is substituted by the thio­cyanate group. The CuN4S2 octa­hedron is more distorted than the CoN6 and NiN6 octa­hedra.

crystal structureStereochemistrychemistry.chemical_elementThio-Crystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesChlorideResearch CommunicationsMetalchemistry.chemical_compoundmedicine25-bis(pyridin-2-yl)-134-thiadiazoleGeneral Materials Sciencecopper complexCoordination geometrythio­cyanate ligandCrystallographyHydrogen bondGeneral Chemistrythiocyanate ligandCondensed Matter PhysicsCopper0104 chemical sciencesCrystallographychemistryQD901-999visual_artvisual_art.visual_art_mediumDiazole25-bis­(pyridin-2-yl)-134-thia­diazolemedicine.drugActa Crystallographica Section E Crystallographic Communications
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Crystal structure of a rare trigonal bipyramidal titanium(IV) coordination complex: trichlorido(3,3′-di-tert-butyl-2′-hydroxy-5,5′,6,6′-tetramethyl-1…

2017

The title compound, [Ti(C24H33O2)Cl3(C4H8O)], is a rare example of a trigonal–bipyramidal titanium coordination complex with three chloride and two oxygen donor ligands. The asymmetric unit contains two independent molecules having essentially the same conformation. The molecules feature the titanium(IV) metal cation complexed with three chloride ligands, a tetrahydrofuran molecule, and one oxygen atom from the resolved ligand precursor (R)-(+)-5,5′,6,6′-tetramethyl-3,3′-di-t-butyl-1,1′-biphenyl-2,2′-diol, where the remaining phenolic hydrogen atom engages in intermolecular O—H...Cl hydrogen bonding. In one molecule, the THF ligand is disordered over two orientations with refined site occup…

crystal structureStereochemistrytitanium in trigonal–bipyramidal coordinationchemistry.chemical_elementcoordination complexCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesMedicinal chemistryCoordination complexchemistry.chemical_compoundFuranGeneral Materials Sciencechemistry.chemical_classificationCrystallographybiologyHydrogen bondLigandGeneral ChemistryCondensed Matter Physicsbiology.organism_classification0104 chemical sciencesTrigonal bipyramidal molecular geometrychemistryQD901-999TetraTitaniumActa Crystallographica Section E: Crystallographic Communications
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Tetrakis(dimethoxyboryl)methane

2016

The title compound, tetrakis(dimethoxyboryl)methane (systematic name: octamethyl methanetetrayltetraboronate), C9H24B4O8or C[B(OMe)2]4, is a useful synthetic intermediate. Crystals of this compound at 102 K conform to the orthorhombic space groupPbcn. The molecules, which reside on sites of crystallographic twofold symmetry, have idealized -4 point symmetry like most other CX4molecules in which eachXgroup bears two non-H substituents at the 1-position. The central C atom has a slightly distorted tetrahedral coordination geometry, with C—B bond lengths of 1.5876 (16) and 1.5905 (16) Å. One of the methoxy groups is disordered over two sets of sites; the major component has an occupancy factor…

crystal structurebiology010405 organic chemistryStereochemistryPoint symmetryGeneral MedicineMeth-Crystal structure010403 inorganic & nuclear chemistrybiology.organism_classificationmethane derivative01 natural sciencesMethane0104 chemical sciencesBond lengthchemistry.chemical_compoundtetrakis(dimethoxyboryl)methanechemistryGroup (periodic table)lcsh:QD901-999Tetralcsh:CrystallographyCoordination geometryIUCrData
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1,1′-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)

2017

The title compound, C18H36N2P2, crystallizes in the triclinic space groupP-1 with two independent molecules in the asymmetric unit. Both molecules adopt atransconfiguration of the tetramethylpiperidine units along the P=P axis. The crystal packing is stabilized only by van der Waals interactions.

crystal structurebiologyChemistryStereochemistryDiphospheneCrystal structureTriclinic crystal system010402 general chemistry010403 inorganic & nuclear chemistrybiology.organism_classification01 natural sciencesMedicinal chemistry0104 chemical scienceslow-coordinate trivalent phosphorusCrystalchemistry.chemical_compoundsymbols.namesakeTrans configurationsymbolslcsh:QD901-999TetradiphosphenePiperidinelcsh:Crystallographyvan der Waals forceIUCrData
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rac-11-Selena-12,13-diazabicyclo[10.3.0]pentadeca-10a(13a),12-dien-1-ol

2021

The title compound, C12H20N2OSe, crystallizes in strands of enantiomeric molecules connected via O—H...N hydrogen bonds. There are only slight deviations from an ideal gauche conformation in the decamethylene chain, indicating just a little strain.

crystal structureheterocyclesCrystallographyBicyclic moleculeStrain (chemistry)010405 organic chemistryHydrogen bondChemistryStereochemistryCrystal structure010403 inorganic & nuclear chemistry01 natural sciences0104 chemical sciencesQD901-999medium-sized ringseleniumDeca-IUCrData
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Crystal structure of tricarbonyl(μ-diphenylphosphido-κ2P:P)(methyldiphenylsilyl-κSi)bis(triphenylphosphane-κP)iron(II)platinum(0)(Fe—Pt)

2015

The title compound belongs to the large family of heterodinuclear phosphide-bridged complexes. The Fe—Pt bond is of 2.7738 (4) Å and there is an unprecedented arrangement of the silyl ligand in a trans-position with respect to the metal–metal vector in the family of phosphide-bridged iron–platinum heterobimetallics.

crystal structuremetal–metal bondSilylationStereochemistrychemistry.chemical_elementCrystal structureMedicinal chemistryResearch Communicationslcsh:Chemistrychemistry.chemical_compoundphosphido bridges[CHIM]Chemical SciencesGeneral Materials Sciencediphenylmethylsilyl ligandComputingMilieux_MISCELLANEOUSdi­phenyl­methyl­silyl ligandLigandTricarbonGeneral ChemistryCondensed Matter Physics3. Good healthiron complexeslcsh:QD1-999chemistryheterobimetallicsPlatinumplatinum complexesActa Crystallographica Section E Crystallographic Communications
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Crystal structure and absolute configuration of (4S,5R,6S)-4,5,6-trihydroxy-3-methylcyclohex-2-enone (gabosine H)

2017

The absolute configuration of the title compound, determined as 4S,5R,6S on the basis of the synthetic pathway, was confirmed by single-crystal X-ray diffraction. The mol­ecule is formed by a substituted six-membered cyclo­hexene ring adopting an envelope conformation and substituted by carbonyl, methyl and hydroxyl groups. The supra­molecular structure is mainly built by a combination of O—H⋯O and weaker C—H⋯O hydrogen bonds.

crystal structurenatural productStereochemistryCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch Communicationschemistry.chemical_compoundChain (algebraic topology)Screw axisPerpendicularGeneral Materials ScienceEnvelope (waves)CrystallographyChemistryHydrogen bondAbsolute configurationGeneral ChemistryMitsunobu inversion reactionCondensed Matter Physics0104 chemical sciencesabsolute configurationCrystallographyQD901-999EnoneActa Crystallographica Section E Crystallographic Communications
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Crystal structure of (2R*,3aR*)-2-phenylsulfonyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b]isoxazole

2017

The title compound, C12H15NO3S, was prepared by 1,3-dipolar cycloaddition of 3,4-dihydro-2H-pyrrole 1-oxide and phenyl vinyl sulfone. In the molecule, both fused five-membered rings display a twisted conformation. In the crystal, C—H...O hydrogen bonds link neighbouring molecules, forming chains running parallel to thebaxis.

crystal structurenitronesStereochemistryCrystal structure010402 general chemistry01 natural sciencesCrystalchemistry.chemical_compoundisoxazolidinesGeneral Materials ScienceIsoxazolesulfonesSulfonylchemistry.chemical_classificationCrystallography010405 organic chemistryChemistryHydrogen bondGeneral ChemistryPhenyl vinyl sulfoneCondensed Matter PhysicsHEXA0104 chemical sciencesCrystallographyQD901-999hydrogen bondsActa Crystallographica Section E: Crystallographic Communications
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1-{3-[(7-Fluoro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one

2021

The title compound, C19H22FN5O, has been synthesized as an inhibitor of glycogen synthase kinase-3β. Two molecules interact via two N—H...N hydrogen bonds, forming centrosymmetric dimers.

crystal structurepyrimidoindoleCrystallographybiologykinase inhibitorStereochemistryHydrogen bondMeth-Crystal structurechemistry.chemical_compoundchemistryQD901-999biology.proteinGlycogen synthaseIUCrData
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Unexpected behaviour of copper(I) towards a tridentate Schiff base: Synthesis, structure and properties of new Cu(I)-Cu(II) and Cu(II) complexes

2001

cited By 17; International audience; The reaction of CuBr with 2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine L afforded a new Cu(I)-Cu(II) derivative [CuBrL]2[Cu2Br4] (1), while the reaction of [Cu(CH3CN)4]PF6 with L in THF yielded the new Cu(I) compound CuL(THF)(CH3CN)PF6 (2). Derivative 2 further reacted with halogenated solvents to yield halogeno-Cu(II) salts, [CuClL]PF6 (3) using CHCl3 and [CuBrL]Br3 (4) using CHBr3. Compounds 1, 3 and 4 have been fully characterised by X-ray crystallography; they contain essentially similar [CuXL]+ cations with a square planar copper(II) co-ordination. However, the structure of compound 1 must be viewed as built of tetranuclear units since two […

crystal structurespectroscopysynthesisStereochemistry2chemistry.chemical_elementcyclic potentiometrypyridine derivativeCrystal structure010402 general chemistryElectrochemistry01 natural sciencesMedicinal chemistrysolventIonInorganic Chemistrychemistry.chemical_compoundSchiff basecopper derivativehalogenationPyridineMaterials Chemistry[CHIM]Chemical SciencesPhysical and Theoretical Chemistrychemical bondSchiff base010405 organic chemistryChemistry6 bis[2chemical interactionarticleanionX ray crystallographyCopperstructure analysis0104 chemical sciencescationunclassified drug6 diisopropylphenylimino)ethyl]pyridineelectrochemistryYield (chemistry)magnetismDerivative (chemistry)copper bromide
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