0000000000231158

AUTHOR

Henryk Janota

showing 3 related works from this author

?-Phenylsulfonyl-N-arylacetamides (?-phenylsulfonylacetanilides):1H,13C and15N NMR spectral characterization

2000

Deuterium NMRChemistryNMR spectroscopy of stereoisomersCarbon-13 NMR satelliteAnalytical chemistryProton NMRPhysical chemistryGeneral Materials SciencePhosphorus-31 NMR spectroscopyTransverse relaxation-optimized spectroscopyGeneral ChemistryFluorine-19 NMRCarbon-13 NMRMagnetic Resonance in Chemistry
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Predominance of 2-arylhydrazones of 1,3-diphenylpropane-1,2,3-trione over its proton-transfer products

2001

2-Phenylhydrazones of 1,3-diphenyl-1,2,3-trione are the dominant tautomeric form detected in chloroform solution by 15N NMR chemical shifts. The substituent in the phenylhydrazone moiety does not affect this tautomeric preference. The substituent effect is transmitted effectively only to the hydrazone nitrogen and hydrogen atoms. Ab initio calculations show that the ketohydrazone tautomer is really very much favoured over its proton-transfer products in chloroform solution. The same tautomer was also detected in the crystal state by X-ray crystallography. Copyright © 2001 John Wiley & Sons, Ltd.

chemistry.chemical_classificationChloroformHydrogen bondChemical shiftOrganic ChemistrySubstituentHydrazoneTautomerchemistry.chemical_compoundchemistryComputational chemistryAb initio quantum chemistry methodsMoietyPhysical and Theoretical ChemistryJournal of Physical Organic Chemistry
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N-(2-Benzoyl-4-chlorophenyl)-4-chlorobenzenesulfonamide

2008

The title compound, C19H13Cl2NO3S, is an N-arylsulfonyl derivative of 2-amino-5-chlorobenzophenone. The compound is biologically active and shows potential to be utilized as an inhibitor of CCR2 and CCR9 receptor functions. In the crystal structure, there is an intramolecular N—H...O hydrogen bond between the amide and carbonyl groups. The benzoyl and 4-chlorophenyl groups form intramolecular and intermolecular face-to-face contacts, with a dihedral angle of 10.6 (1)° between their mean planes in both cases, and centroid–centroid separations of 4.00 (1) and 4.25 (1) Å for the intra- and intermolecular interactions, respectively.

chemistry.chemical_classificationCrystallographyHydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsOrganic PapersMedicinal chemistrySulfonamidechemistry.chemical_compoundchemistryQD901-999AmideBenzophenoneGeneral Materials ScienceBenzeneDerivative (chemistry)Acta Crystallographica Section E Structure Reports Online
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