Search results for "Trans-4-fluoroazoxybenzene"

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Disorder in the crystals of trans-4-fluoroazoxybenzene. Synthesis, spectral properties, crystal structures and DFT calculations

2005

Abstract Two crystals of trans-4-fluoroazoxybenzene were obtained using two different methods. Oxidation of 4-fluoroazobenzene provided crystals of trans-4-fluoroazoxybenzene (I) consisting of two isomers; 51% α (ONN) and 49% β (NNO) isomer. From trans-amino-azoxybenzenes in Schiemann reaction it were obtained crystals of trans-4-fluoro-NNO-azoxybenzenes (II, β isomer) containing 4.7% of the α-isomer according to the HPLC analysis. The crystal structures of I and II were determined by the X-ray diffraction method. In the crystal I two nitrogen atoms of azoxy bridge and fluorine atom are disordered. In the crystal II, there are two independent molecules of trans-4-fluoroazoxybenzene; the mol…

AzoxyTrans-4-fluoroazoxybenzeneHydrogen bondChemistryAromaticityCrystal structureOrganic ChemistryAromaticityCrystal structureDFT calculationsAnalytical ChemistryInorganic ChemistryCrystalCrystallographychemistry.chemical_compoundMolecular geometryComputational chemistrySchiemann reactionMolecular symmetryDisorderMoleculeSpectroscopyJournal of Molecular Structure
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CCDC 234050: Experimental Crystal Structure Determination

2006

Related Article: K.Ejsmont, A.A.Domanski, J.B.Kyziol, J.Zaleski|2005|J.Mol.Struct.|753|92|doi:10.1016/j.molstruc.2005.05.045

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersalpha-trans-4-FluoroazoxybenzeneExperimental 3D Coordinates
researchProduct

CCDC 234051: Experimental Crystal Structure Determination

2006

Related Article: K.Ejsmont, A.A.Domanski, J.B.Kyziol, J.Zaleski|2005|J.Mol.Struct.|753|92|doi:10.1016/j.molstruc.2005.05.045

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbeta-trans-4-FluoroazoxybenzeneExperimental 3D Coordinates
researchProduct