Search results for "CRYSTAL"

showing 10 items of 22886 documents

CCDC 1456785: Experimental Crystal Structure Determination

2016

Related Article: Beáta Fekete, Márta Palkó, István Mándity, Matti Haukka, Ferenc Fülöp|2016|Eur.J.Org.Chem.|2016|3519|doi:10.1002/ejoc.201600434

12-hydroxy-312-diazapentacyclo[13.2.1.0214.0311.0510]octadeca-57916-tetraene-413-dione monohydrateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1431346: Experimental Crystal Structure Determination

2015

Related Article: Alexander Ganß, Raquel Belda, Javier Pitarch, Richard Goddard, Enrique García-España, and Stefan Kubik|2015|Org.Lett.|17|5850|doi:10.1021/acs.orglett.5b03027

14174043-Tetraoxa-14112027303746-octaazaheptacyclo[28.22.2.2427.269.22225.23235.24851]tetrahexaconta-6822243234485055576163-dodecaeneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1425256: Experimental Crystal Structure Determination

2016

Related Article: T. Mäkelä, K. Rissanen|2016|Dalton Trans.|45|6481|doi:10.1039/C6DT00414H

1516-Dinitro-2356891112-octahydro-1471013-benzopentaoxacyclopentadecineSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 127936: Experimental Crystal Structure Determination

2001

Related Article: S.Kiviniemi, M.Nissinen, M.T.Lamsa, J.Jalonen, K.Rissanen, J.Pursiainen|2000|New J.Chem.|24|47|doi:10.1039/a907608e

18-Crown-6 bis(imidazolium) clathrate diperchlorateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1935935: Experimental Crystal Structure Determination

2020

Related Article: Rakesh Puttreddy, J. Mikko Rautiainen, Toni Mäkelä, Kari Rissanen|2019|Angew.Chem.,Int.Ed.|58|18610|doi:10.1002/anie.201909759

1H-12-benzothiazole-113(2H)-trione -2-phenyl-1--pyridine N-oxdeSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 1935934: Experimental Crystal Structure Determination

2020

Related Article: Rakesh Puttreddy, J. Mikko Rautiainen, Toni Mäkelä, Kari Rissanen|2019|Angew.Chem.,Int.Ed.|58|18610|doi:10.1002/anie.201909759

1H-12-benzothiazole-113(2H)-trione 26-dimethyl-1-pyridine N-oxideSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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catena-Poly[[(18-crown-6-κ6O)potassium]-μ-chlorido-[(1H-benzotriazol-1-ol-κN3)chloridoplatinum(II)]-μ-(benzotriazol-1-olato-κ2N3:O)]

2010

In the structure of the title compound, [KPt(C6H4N3O)Cl2(C6H5N3O)(C12H24O6)], the PtII atom is in a distorted square-planar geometry. The crystal structure is consolidated by O—H⋯O hydrogen bonds. The measured crystal was a non-merohedral twin with four components.

1H-BenzotriazolHydrogen bondPotassium18-Crown-6chemistry.chemical_elementGeneral ChemistryCrystal structureCondensed Matter PhysicsBioinformaticsCrystalchemistry.chemical_compoundCrystallographychemistryGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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Conformational properties of cyanomethoxy calix[4]arenes.

2005

O-Alkylation of the dinitro calix[4]arene 2, easily available by selective ipso-nitration of the di-cyanomethyl ether 1, with allylbromide (DMF/Cs2CO3) gave tetraethers 3 and 4 with anti- and syn-orientations of the two allyl ether residues. The two possible stereoisomers of 3 in the partial cone and 1,2-alternate conformation exist as an equilibrium mixture which could be quantitatively analysed by 1H NMR spectroscopy. The temperature dependence of this equilibrium leads to ΔH0 = − 7.6 to −9.7 kJ mol−1 in different solvents (tetrachloroethane, benzene, dimethylsulfoxide). Since 3(1,2-alt) could be obtained in pure form, its isomerisation to the equilibrium mixture with 3(paco) could be fol…

1h nmr spectroscopyChemistryOrganic ChemistryEtherActivation energyKinetic energyBiochemistryTetrachloroethanechemistry.chemical_compoundOrganic chemistryPhysical chemistryPhysical and Theoretical ChemistryBenzeneSingle crystalIsomerizationOrganicbiomolecular chemistry
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N-(2,3,5,6-Tetrafluoropyridyl)sulfoximines: synthesis, X-ray crystallography, and halogen bonding

2020

In the presence of KOH, NH-sulfoximines react with pentafluoropyridine to give N-(tetrafluoropyridyl)sulfoximines (NTFP-sulfoximines) in moderate to excellent yields. Either a solution-based or a superior solvent-free mechanochemical protocol can be followed. X-Ray diffraction analyses of 26 products provided insight into the bond parameters and conformational rigidity of the molecular scaffold. In solid-state structures, sulfoximines with halo substituents on the S-bound arene are intermolecularly linked by C–X⋯OS (X = Cl, Br) halogen bonds. Hirshfeld surface analysis is used to assess the type of non-covalent contacts present in molecules. For mixtures of three different S-pyridyl-substit…

1h nmr spectroscopyHalogen bond010405 organic chemistryChemistryOrganic Chemistrychemistry.chemical_element010402 general chemistry01 natural sciencesNitrogenOxygen0104 chemical sciencesCrystallographyHalogenX-ray crystallographyMoleculeOrganic Chemistry Frontiers
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CCDC 1008816: Experimental Crystal Structure Determination

2015

Related Article: Bernd Elsler, Anton Wiebe, Dieter Schollmeyer, Katrin M. Dyballa, Robert Franke, Siegfried R. Waldvogel|2015|Chem.-Eur.J.|21|12321|doi:10.1002/chem.201501604

2'3-Dimethoxy-2-hydroxy-4'55'-trimethylbiphenylSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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