Search results for "Stack"

showing 10 items of 392 documents

Stabilisation of Exotic Tribromide (Br3−) Anions via Supramolecular Interaction with A Tosylated Macrocyclic Pyridinophane. A Serendipitous Case.

2020

Tetraaza-macrocyclic pyridinophane L-Ts, decorated with a p-toluenesulfonyl (tosyl

crystal structureStackingSupramolecular chemistryPharmaceutical ScienceCrystal structureAnalytical Chemistrylcsh:QD241-441symbols.namesakechemistry.chemical_compoundlcsh:Organic chemistryTosylDrug DiscoveryPyridineHirshfeld surface analysisPhysical and Theoretical ChemistryN-heterocyclesanion- interactionsTribromideHydrogen bondOrganic Chemistryanion complexesCrystallographychemistryChemistry (miscellaneous)symbolsMolecular Medicinevan der Waals forceMolecules
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Crystal structure of bis(ethylenedithio)tetrathiafulvalenium μ2-acetato-bis[tribromidorhenate(III)] 1,1,2-trichloroethane hemisolvate

2016

The crystal structure of a binuclear mono­carboxyl­ato dirhenium(III) complex with a fulvalene derivative is reported. This compound represents a radical cation salt containing a cluster unit with rhenium–rhenium quadruple bond.

crystal structureStereochemistrybis­(ethyl­enedi­thio)­tetra­thia­fulvaleneStackingThio-Crystal structurerhenium010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch CommunicationsCrystalquadruple metal–metal bondbis(ethylenedithio)tetrathiafulvaleneGeneral Materials Scienceradical cation saltCrystallographybiologyHydrogen bondChemistryLigandGeneral ChemistryCondensed Matter Physicsbiology.organism_classification0104 chemical sciencesCrystallographyRadical ionQD901-999TetraActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of 2-hy­droxy­imino-2-(pyridin-2-yl)-N'-[1-(pyridin-2-yl)ethyl­idene]acetohydrazide

2014

The mol­ecule of the title compound is approximately planar with the planes of the two pyridine rings inclined to one another by 5.51 (7)°. In the crystal, mol­ecules are linked by bifurcated O—H⋯(O,N) hydrogen bonds, forming inversion dimers, which are in turn linked via C—H⋯O and C—H⋯N hydrogen bonds, forming sheets lying parallel to (502).

crystal structureacetohydrazidehy­droxy­iminoStackingpyridylethylideneCrystal structureRing (chemistry)Research CommunicationsCrystalchemistry.chemical_compoundAmideπ–π stacking interactionsPyridineGeneral Materials Scienceta116CrystallographyChemistryHydrogen bondGeneral ChemistryCondensed Matter PhysicsOximehydrogen bondingCrystallographyQD901-999π–π stacking inter­actionshydroxyiminopyridyl­ethyl­ideneActa Crystallographica Section E : Structure Reports Online
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Tris(1,10-phenanthroline-κ2N,N′)nickel(II) bis(hexafluoridophosphate)

2018

The asymmetric unit of the title compound, [Ni(C36H24N6)3](PF6)2, contains one and a half nickel(II) complex dications and three hexafluoridophosphate anions, one of the dications having crystallographic twofold rotational symmetry. Each NiIIatom displays a distorted octahedral coordination geometry provided by the six N atoms of three bidentate 1,10-phenanthroline ligands with bite angles of 79.68 (11)–80.76 (12)°. In the crystal, C—H...F hydrogen bonds link the anions and dications into a three-dimensional supramolecular framework. Within the framework complex dications with twofold rotational symmetry are linked by weak π–π stacking interactions [centroid-to-centroid distances = 3.712 (2…

crystal structurehexafluoridophosphateDenticity110-phenanthrolineChemistryHydrogen bondPhenanthrolineStackingchemistry.chemical_elementGeneral MedicineCrystal structure010402 general chemistry010403 inorganic & nuclear chemistryHEXAhydrogen bonding01 natural sciences0104 chemical scienceschemistry.chemical_compoundNickelCrystallographylcsh:QD901-999lcsh:Crystallographynickel(II)Coordination geometryIUCrData
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Intramolecular 1,5-S...N σ-hole interaction in (E)-N′-(pyridin-4-ylmethylidene)thiophene-2-carbohydrazide

2020

The hydrazide-hydrazone forms inverse dimers via hydrogen bonding, but its conformation is defined by the presence of an intra­molecular chalcogen bond. Electrostatic forces dominate in the crystal packing and give rise to a layered supra­molecular structure.

crystal structurehirshfeld surfaceDouble bondImineStackingCrystal structureCarbohydrazide010402 general chemistryRing (chemistry)01 natural sciencesResearch Communicationsenergy frameworkslcsh:Chemistrychemistry.chemical_compoundchalcogen bondingGeneral Materials Sciencechemistry.chemical_classificationQuantitative Biology::Biomoleculesintermolecular interaction energies010405 organic chemistryHydrogen bondGeneral Chemistryinter­molecular inter­action energieshydrogen bondingCondensed Matter Physics4-pyridinecarboxaldehyde 2-thienyl hydrazone0104 chemical sciencesCrystallographylcsh:QD1-999chemistry4-pyridine­carboxaldehyde 2-thienyl hydrazoneMonoclinic crystal systemActa Crystallographica Section E Crystallographic Communications
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2-(3-Methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetic acid dihydrate

2018

In the title compound, C11H10N2O3·2H2O, the constituent atoms of the dihydroquinoxaline moiety deviate from the mean plane of the unit by +0.0572 (8) to −0.0874 (8) Å while the acetic acid substituent is nearly orthogonal to this plane. The crystal packing consists of corrugated layers constructed by O—H...O, O—H...N and C—H...O hydrogen bonds, which also involve the lattice water molecules. O—H...O hydrogen bonds and π–π stacking interactions hold these layers together.

crystal structurehydrogen bondChemistryHydrogen bondStackingSubstituentGeneral MedicineCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciences0104 chemical scienceschemistry.chemical_compoundAcetic acidCrystallographydihydroquinoxalinelcsh:QD901-999Moietylcsh:Crystallographyπ–π stackingIUCrData
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Substituent effects in nitro derivatives of carbazoles investigated by comparison of low-temperature crystallographic studies with density functional…

2014

The crystal structure of 9H-carbazole, C12H9N, (I), has been redetermined at low temperature for use as a reference structure in a comparative study with the structures of 1-nitro-9H-carbazole, C12H8N2O2, (II), and 9-nitrocarbazole, C12H8N2O2, (III). The molecule of (I) has crystallographically imposed mirror symmetry (Z′ = 0.5). All three solid-state structures are slightly nonplanar, the dihedral angles between the planes of the arene and pyrrole rings ranging from 0.40 (7)° in (III) to 1.82 (18)° in (II). Nevertheless, a density functional theory (DFT) study predicts completely planar conformations for the isolated molecules. To estimate the influence of nitro-group substitution on aroma…

crystal structuremolecular electronicsSubstituentStackingElectronsbiological activityCrystal structureDihedral angleCrystallography X-RayDFT calculationsInorganic Chemistrychemistry.chemical_compoundDelocalized electronHOMA indexMaterials ChemistryPhysical and Theoretical ChemistryMolecular StructureHydrogen bondTemperatureHydrogen BondingAromaticityNitro CompoundsCondensed Matter PhysicsCrystallographycarbazoleselectron-withdrawing effectschemistryQuantum TheoryDensity functional theoryActa Crystallographica Section C-Structural Chemistry
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Vietnes Stack Overflow satura analīze

2018

Stack Overflow ir vispopulārākā jautājumu un atbilžu vietne jautājumiem par programmēšanas problēmām. Darbā tiks analizēts vietnes Stack Overflow datu izraksts. Ar datizraces palīdzību datu izrakstā tiks meklētas sakarības starp jautājumu, atbilžu un lietotāju objektiem. Padziļināta analīze tiek veikta, lai salīdzinātu Latvijas lietotāju ar vidējo Stack Overflow lietotāju.

datu izrakstsDatorzinātneStack Overflowdatu analīzedatizrace
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Analysis of radionuclide concentration in air released through the stack of a radiopharmaceutical production facility based on a medical cyclotron

2015

Abstract Positron emitting radionuclides are increasingly used in medical diagnostics and the number of radiopharmaceutical production facilities have been estimated to be growing worldwide. During the process of production and/or patient administration of radiopharmaceuticals, an amount of these radionuclides might become airborne and escape into the environment. Therefore, the analysis of radionuclide concentration in the air released to the stack is a very important issue to evaluate the dose to the population living around the plant. To this end, sampling and measurement of radionuclide concentration in air released through the stack of a Nuclear Medicine Center (NMC), provided with a c…

education.field_of_studyRadionuclideMedical diagnosticRadiationSettore ING-IND/20 - Misure E Strumentazione NucleariChemistrySystem of measurementNuclear engineeringPopulationDetectorCyclotronSampling (statistics)law.inventionStack (abstract data type)lawMedical cyclotron PET Radioactive air effluent RadiopharmaceuticalseducationSettore ING-IND/19 - Impianti NucleariNuclear chemistryRadiation Physics and Chemistry
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Crystal structures of allyltriphenyl-phosphonium halogenocuprates(I)

2013

Alternating-current electrochemical synthesis is used to obtain for the first time halogenocuprates of an allyl derivative of phosphonium of the composition (CH2=CHCH2(C6H5)3P)CuX2 (X = Br (I), Cl (II)). Compound I crystallizes in the space group P21, a = 9.6341(3) A, b = 12.4167(4) A, c = 9.9618(4) A, β = 117.484(5)°, Z = 2. Compound II crystallizes in the space group P21/n, a = 9.9725(5) A, b = 15.4586(8) A, c = 13.7557(5) A, β = 90.429(4)°, Z = 4. In the structures of I and II quasilinear CuX 2 − anions are held by C-H…X hydrogen bonds inside a framework formed by the stacking of phenyl groups from CH2=CHCH2(C6P5)3P+ cations. Allyl groups are not involved in coordination with copper(I) a…

embracecrystal structurehyperconjugationphenylStereochemistryHydrogen bondStackingchemistry.chemical_elementCrystal structureHyperconjugationElectrochemistryhomoconjugationCoppercopper(I)weak hydrogen bondsInorganic Chemistrychemistry.chemical_compoundCrystallographychemistrystackingallyl phosphoniumMaterials ChemistryPhosphoniumPhysical and Theoretical ChemistryDerivative (chemistry)Journal of Structural Chemistry
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