0000000000880838

AUTHOR

Przemysław Czeleń

0000-0001-7268-4956

showing 3 related works from this author

Synthesis and Structural Characterization of Substituted 2-Phenacylbenzoxazoles

2013

1 H and 13C NMR spectra of eleven 2-phenacylbenzoxazoles (ketimine form) show that their CDCl3-solutions contains also (Z)-2-(benzo[d]oxazol-2-yl)-1-phenylethenols (enolimine form). Intramolecular hydrogen bonding in the latter tautomer was found to be significantly weaker than that one in respective (Z)-2-(2-hydroxy-2-phenylvinyl)pyridines. Integrals of the 1 H NMR signals were used to evaluate the molar ratio of the tautomers. Strong electron-donating substituents were found to stabilize the ketimine tautomer. pKT (negative logarithm of the equilibrium constant, KT = [ketimine]/[enolimine]) was found to be linearly dependent on the Hammett substituent constant σ. The results of the MP2 ab…

Stereochemistry2-phenyacylbenzoxazoleSubstituent2-fenasyylibentsoksatsoli010402 general chemistry01 natural sciencesArticleCatalysisInorganic Chemistrylcsh:Chemistryresonance interactionchemistry.chemical_compoundAb initio quantum chemistry methods2-phenacylbenzoxazolePhysical and Theoretical Chemistryta116Molecular Biologylcsh:QH301-705.5SpectroscopyEquilibrium constanthydrogen bond010405 organic chemistryHydrogen bondOrganic Chemistryquantum-chemical calculationsGeneral MedicineCarbon-13 NMRTautomerNMR0104 chemical sciencesComputer Science ApplicationsCrystallographytautomerismchemistrylcsh:Biology (General)lcsh:QD1-999Intramolecular forceProton NMRsubstituent effect
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CCDC 922097: Experimental Crystal Structure Determination

2017

Related Article: Agnieszka Skotnicka, Erkki Kolehmainen, Przemysław Czeleń, Arto Valkonen, Ryszard Gawinecki|2013|Int.J.Mol.Sci.|14|4444|doi:10.3390/ijms14034444

Space GroupCrystallographyCrystal SystemCrystal Structure2-(13-Benzoxazol-2-yl)-1-(3-methylphenyl)vinyl 3-methylbenzoateCell ParametersExperimental 3D Coordinates
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CCDC 922098: Experimental Crystal Structure Determination

2017

Related Article: Agnieszka Skotnicka, Erkki Kolehmainen, Przemysław Czeleń, Arto Valkonen, Ryszard Gawinecki|2013|Int.J.Mol.Sci.|14|4444|doi:10.3390/ijms14034444

Space GroupCrystallography2-(13-Benzoxazol-2-yl)-1-(4-methylphenyl)vinyl 4-methylbenzoateCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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