Search results for "3-d"

showing 10 items of 1132 documents

3-Bromopyridine-2-carbonitrile

2019

The title compound, C6H3BrN2, also known as 3-bromopicolinonitrile, was synthesized by cyanation of 2,3-dibromopyridine. In the solid state, short intermolecular Br...N contacts are observed. Additionally, the crystal packing is consolidated by π–π stacking interactions with centroid–centroid distances of 3.7893 (9) Å.

crystal structureNitrileChemistryStackingSolid-stateGeneral MedicineCrystal structureCyanation3-bromopicolinonitrile23-dibromopyridineCrystalCrystallographychemistry.chemical_compoundPyridinelcsh:QD901-999lcsh:CrystallographycyanationIUCrData
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1,1-Diphenyl-4-(thiophen-2-yl)but-3-yn-1-ol

2018

The asymmetric unit of the title homopropargyl alcohol, C20H16OS, contains two independent molecules comprising a hydroxy group, a 3-(2-thiophenyl)- propargylic moiety and two aromatic rings linked to a central carbon atom. The two unique molecules are linked into a dimer by an O—HO hydrogen bond. In one molecule, the thiophene ring is disordered over two orientations rotated by 180 with a refined occupancy ratio of 0.575 (4):0.425 (4). The crystal structure is stabilized by O—H and C—H hydrogen-bond interactions. The crystal studied was a two-component non-merohedral twin, the refined ratio of the twin components being 0.575 (4):0.425 (4). UCR::Vicerrectoría de Docencia::Ciencias Básicas::…

crystal structurepropargylationHomopropargyl alcoholsDimer13-dilithiopropyneCrystal structurealkynes010402 general chemistryRing (chemistry)01 natural sciencesCrystalchemistry.chemical_compoundlcsh:QD901-999MoleculeMoiety010405 organic chemistryHydrogen bondCrystal structurePropargylationAromaticity0104 chemical sciences13-dili­thio­propyneCrystallographychemistryAlkynes540 Químicahomopropargyl alcoholslcsh:Crystallography
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CCDC 1917460: Experimental Crystal Structure Determination

2020

Related Article: A. Carel N. Kwamen, Marcel Schlottmann, David Van Craen, Elisabeth Isaak, Julia Baums, Li Shen, Ali Massomi, Christoph Räuber, Benjamin P. Joseph, Gerhard Raabe, Christian Göb, Iris M. Oppel, Rakesh Puttreddy, Jas S. Ward, Kari Rissanen, Roland Fröhlich, Markus Albrecht|2020|Chem.-Eur.J.|26|1396|doi:10.1002/chem.201904639

di-lithium tris(246-trimethylphenylmethyl 23-dioxybenzoate)-titaniumSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2153375: Experimental Crystal Structure Determination

2022

Related Article: María Vicent-Morales, María Esteve-Rochina, Joaquín Calbo, Enrique Ortí, Iñigo J. Vitórica-Yrezábal, Guillermo Mínguez Espallargas|2022|J.Am.Chem.Soc.|144|9074|doi:10.1021/jacs.2c01957

dimethylammonium 4-{2-[45-bis(4-carboxyphenyl)-2H-13-dithiol-2-ylidene]-5-(4-carboxyphenyl)-2H-13-dithiol-4-yl}benzoate NN-dimethylformamide solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1434832: Experimental Crystal Structure Determination

2017

Related Article: A. Chernenkaya, A. Morherr, S. Backes, W. Popp, S. Witt, X. Kozina, S. A. Nepijko, M. Bolte, K. Medjanik, G. Öhrwall, C. Krellner, M. Baumgarten, H. J. Elmers, G. Schönhense, H. O. Jeschke, R. Valentí|2016|J.Chem.Phys.|145|034702|doi:10.1063/1.4958659

dithieno[23-d;2'3'-d']benzo[12-b;45-b']dithiophene tetracyanoquinodimethaneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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The Role of 1,3-Dipolar Cycloaddition Reactions in the Design and Synthesis of Complex Heterocyclic Scaffolds with Anti-tumor/Anti-infective Activity

2009

heterocyclic scaffoldanti-infective activity13-dipolar cycloaddition reactionanti-tumor activitySettore CHIM/08 - Chimica Farmaceutica
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CCDC 1049500: Experimental Crystal Structure Determination

2015

Related Article: Alina S. Dinca, Sergiu Shova, Adrian E. Ion, Catalin Maxim, Francesc Lloret, Miguel Julve, Marius Andruh|2015|Dalton Trans.|44|7148|doi:10.1039/C5DT00778J

hexakis(mu2-22'-(Propane-13-diylbis(nitrilomethylylidene))bis(6-methoxyphenolato))-hexakis(mu2-acetato-OO')-hexakis(mu2-oxalato)-hexa-europium-hexa-zinc dimethylformamide solvate hydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1998895: Experimental Crystal Structure Determination

2020

Related Article: Hui Shen, Zhen Xu, Maryam Sabooni Asre Hazer, Qingyuan Wu, Jiang Peng, Ruixuan Qin, Sam Malola, Boon K. Teo, Hannu Häkkinen, Nanfeng Zheng|2020|Angew.Chem.,Int.Ed.|60|3752|doi:10.1002/anie.202013718

hexakis(mu2-eta2-2-(phenyl)ethynyl)-nonakis(13-bis(propan-2-yl)-23-dihydro-1H-benzimidazol-2-ylidene)-octabromo-tetratetraconta-goldSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Prolin-benzylester als chirale Hilfsgruppen in asymmetrischen 1,3-dipolaren Cycloadditionen mit Nitriloxiden

1990

Proline Benzyl Esters as Chiral Auxiliaries in Asymmetric 1,3-Dipolar Cycloadditions N-Acryloylproline benzyl ester (1b) reacts with nitrile oxides at temperatures from −78 to 0°C to give isoxazolines 4/5 with diastereomeric ratios of ca. 3:1 and with the (5S) isomer as the predominating. The corresponding N-methacryloylproline benzyl ester (1c) gives inferior results. The diastereoselectivity is not influenced by the temperature and the substituents of the nitrile oxides. To prove the absolute configuration of the predominating stereoisomer, a reaction sequence is developed which makes use of an enantioselective hydrolysis with pig liver esterase as the key step to generate an optically ac…

inorganic chemicalsNitrileChemistryStereochemistryorganic chemicalsOrganic ChemistryEnantioselective synthesisDiastereomerAbsolute configurationEsterasechemistry.chemical_compoundHydrolysis13-Dipolar cycloadditionPhysical and Theoretical ChemistryTriethylamineLiebigs Annalen der Chemie
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Pt(II) and Pd(II)-assisted coupling of nitriles and 1,3-diiminoisoindoline : Synthesis and luminescence properties of (1,3,5,7,9-pentaazanona-1,3,6,8…

2017

Treatment of trans-[PtCl2(NCR)2] 1 (R = Me (1a), Et (1b), o-ClC6H4 (1c), p-ClC6H4 (1d), p-(HCdouble bond; length as m-dashO)C6H4 (1e), p-O2NC6H4CH2 (1f)) with 1,3-diiminoisoindoline HNdouble bond; length as m-dashCC6H4C(NH)double bond; length as m-dashNH 2 gives access to the corresponding (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato)Pt(II) complexes [PtCl{NHdouble bond; length as m-dashC(R)Ndouble bond; length as m-dashC(C6H4)NCdouble bond; length as m-dashNC(R)double bond; length as m-dashNH}] 3a–f, in good yields (65–70%). The reaction of trans-[PdCl2(NCMe)2] 4a with 2 furnishes (1,3,5,7,9-pentaazanona-1,3,6,8-tetraenato)Pd(II) complex [PdCl{NHdouble bond; length as m-dashC(Me)Ndouble bond…

kemiaStereochemistryhiili1Solid-state010402 general chemistrychemistry01 natural sciencesMedicinal chemistrynitrogenInorganic Chemistrychemistry.chemical_compoundpentaazanonatetraene complexestyppiMaterials ChemistryluminescencenitrilesPhysical and Theoretical Chemistryta116Dichloromethanemetal-assisted additions010405 organic chemistryluminesenssicarbonCoupling (probability)0104 chemical scienceschemistryYield (chemistry)13-diiminoisoindolinePolystyreneAbsorption (chemistry)Luminescence3-diiminoisoindolinePolyhedron
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