Search results for "pyran-2"

showing 10 items of 17 documents

CCDC 2144108: Experimental Crystal Structure Determination

2022

Related Article: Natalina Makieieva, Teobald Kupka, Grzegorz Spaleniak, Oimahmad Rahmonov, Agata Marek, Alfred Błażytko, Leszek Stobiński, Nataliya Stadnytska, Danuta Pentak, Aneta Buczek, Małgorzata A. Broda, Piotr Kuś, Joachim Kusz, Maria Książek|2022|Struct.Chem.|33|2133|doi:10.1007/s11224-022-02026-7

4-oxo-4H-pyran-26-dicarboxylic acid methanol solvateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1968536: Experimental Crystal Structure Determination

2021

Related Article: Ni Putu Ariantari, Marian Frank, Ying Gao, Fabian Stuhldreier, Anna-Lene Kiffe-Delf, Rudolf Hartmann, Simon-Patrick Höfert, Christoph Janiak, Sebastian Wesselborg, Werner E.G. Müller, Rainer Kalscheuer, Zhen Liu, Peter Proksch|2021|Tetrahedron|85|132065|doi:10.1016/j.tet.2021.132065

6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxy-2H-pyran-2-oneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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Stereoselective synthesis of the naturally occurring 2-pyranone dodoneine

2008

The first total synthesis of the naturally occurring dihydropyranone dodoneine is reported. Asymmetric allylation reactions were used for the stereoselective generation of the two stereogenic centers. The pyranone ring was created by ring-closing metathesis. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)

AllylationStereochemistryChemistryOrganic ChemistryEnantioselective synthesisTotal synthesisAsymmetric synthesisRing (chemistry)Metathesis56-Dihydropyran-2-onesStereocenterDodoneineRing-closing metathesisOxygen heterocyclesStereoselectivityRing-closing metathesisPhysical and Theoretical Chemistry
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Synthesis and X-ray Crystal Structure of New Substituted 3-4′-Bipyrazole Derivatives. Hirshfeld Analysis, DFT and NBO Studies

2021

A new compounds named 3-4′-bipyrazoles 2 and 3 were synthesized in high chemical yield from a reaction of pyran-2,4-diketone 1 with aryl hydrazines under thermal conditions in MeOH. Compound 2 was unambiguously confirmed by single-crystal X-ray analysis. It crystalizes in a triclinic crystal system and space group P-1. Its crystal structure was found to be in good agreement with the spectral characterizations. With the aid of Hirshfeld calculations, the H…H (54.8–55.3%) and H…C (28.3–29.2%) intermolecular contacts are the most dominant, while the O…H (5.8–6.5%), N…H (3.8–4.6%) and C…C (3.0–4.9%) are less dominant. The compound has a polar nature with a net dipole moment of 6.388 Debye. The …

General Chemical Engineeringpyran-24-dioneCrystal structureTriclinic crystal systemDFTInorganic Chemistrychemistry.chemical_compoundkemialliset sidoksetNBOGeneral Materials Scienceorgaaniset yhdisteetkemiallinen synteesiCrystallographyArylIntermolecular forcetiheysfunktionaaliteoriaHirshfeld analysisCondensed Matter PhysicskiteetbipyrazoleDipoleCrystallographychemistryQD901-999Intramolecular forceYield (chemistry)röntgenkristallografiaNatural bond orbitalCrystals
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Synthesis of C2-Symmetrical Bis-(β-Enamino-Pyran-2,4-dione) Derivative Linked via 1,6-Hexylene Spacer: X-ray Crystal Structures, Hishfeld Studies and…

2021

The synthesis of C2-symmetrical bis(β-enamino-pyran-2,4-dione) derivative 3 connected via 1,6-hexylene linker was reported for the first time. X-ray structures and Hirshfeld studies of the new bis- β-enamino-pyran-2,4-dione derivative 3 along with two structurally related pyran-2,4-dione derivatives 2a,b were discussed. A comparative analysis of the different intermolecular contacts affecting the crystal stability was presented. Generally, the H…H, O…H, and H…C interactions are common in all compounds and are considered the most abundant contacts. In addition, DFT calculations were used to compute the electronic properties as well as the 1H and 13C NMR spectra of the studied systems. All co…

Physics and Astronomy (miscellaneous)pyran-24-dioneGeneral Mathematicsintramolecular hydrogen bondC2-symmetricalCrystal structureDFTCrystalsymbols.namesakechemistry.chemical_compoundQA1-939Computer Science (miscellaneous)AIMorgaaniset yhdisteetDebyesymmetriakemiallinen synteesi<i>C</i><sub>2</sub>-symmetricalvetysidoksetChemistryChemical shiftIntermolecular forceHirshfeld analysisCarbon-13 NMRCrystallographyDipoleChemistry (miscellaneous)PyransymbolsMathematicsSymmetry
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CCDC 876053: Experimental Crystal Structure Determination

2013

Related Article: M.Martin-Ortiz, M.Gomez-Gallego, C.R.de Arellano, M.A.Sierra|2012|Chem.-Eur.J.|18|12603|doi:10.1002/chem.201202327

Space GroupCrystallography(2-(9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)phenyl)-chloro-(eta^5^-pentamethylcyclopentadienyl)-iridiumCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 2034810: Experimental Crystal Structure Determination

2020

Related Article: Ahmed A.M. Sarhan, Matti Haukka, Assem Barakat, Ahmed T.A. Boraei|2020|Tetrahedron Lett.|61|152660|doi:10.1016/j.tetlet.2020.152660

Space GroupCrystallography3-benzoyl-4-hydroxy-6-phenyl-2H-pyran-2-oneCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1840041: Experimental Crystal Structure Determination

2018

Related Article: Yasushi Imada, Johannes L. Röckl, Anton Wiebe, Tile Gieshoff, Dieter Schollmeyer, Kazuhiro Chiba, Robert Franke, Siegfried R. Waldvogel|2018|Angew.Chem.,Int.Ed.|57|12136|doi:10.1002/anie.201804997

Space GroupCrystallography7-hydroxy-3-[(4-hydroxy-35-dimethylphenyl)methyl]-4-methyl-2H-1-benzopyran-2-oneCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 813647: Experimental Crystal Structure Determination

2017

Related Article: Till Opatz, Christopher Kallus, Tobias Wunberg, Wolfgang Schmidt, Stefan Henke, Horst Kunz|2002|Carbohydr.Res.|337|2089|doi:10.1016/S0008-6215(02)00301-4

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(5-(benzyloxy)-3-(((4-chlorophenyl)carbamoyl)oxy)-6-methoxy-4-propoxytetrahydro-2H-pyran-2-yl)methyl (4-chlorophenyl)carbamateExperimental 3D Coordinates
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CCDC 914330: Experimental Crystal Structure Determination

2013

Related Article: Y.Rousselin, A.Bruel, A.Clavel|2012|Acta Crystallogr.,Sect.E:Struct.Rep.Online|68|o3352|doi:10.1107/S1600536812045813

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(SSSS)-bis[2-(6-Fluoro-34-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]ammonium chloride hemihydrateExperimental 3D Coordinates
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