Publication detail

N,O-diacylhydroxylamines-structures in crystals and solutions

Year: 2004

Type of publication: článek v odborném periodiku

Name of source: Organic & Biomolecular Chemistry

Publisher name: Royal Society of Chemistry

Place: Cambridge

Page from-to: 2311-2314

Titles:

Language	Name	Abstract	Keywords
cze	N,O-diacylhydroxylaminy - struktura v krystalech a v roztocích	Struktura čtyř N,O-diacylhydroxylaminů (RCOHNOCOR, R, R= Me, Ph) byla určena v pevné fázi rentgenostrukturní analýzou a v roztiku pak NMR a IČ spektroskopiemi. Interpretace výsledků byla podpořena ab-initio výpočty různých tautomerů a konformerů a jejich rotačních bariér.
eng	N,O-diacylhydroxylamines-structures in crystals and solutions	The structures of four N,O-diacylhydroxylamines (RCOHNOCOR, R, R= Me, Ph) were determined in the solid state by X-ray diffraction and studied by NMR and IR spectroscopies in solution. The interpretation of the results was supported by ab-initio calculations of various tautomers and conformers, rotational barriers and chemical shifts. The results indicate the absence of OH tautomers (R?C(OH)N?O?C(O)?R, N-acyloxyimidic acid); the NH tautomers (R?C(O)?NH?O?C(O)?R, O-acylhydroxamic acid) are present in DMSO solutions as equilibrium mixtures of a few conformers, their exchange being the likely source of 15N and 13C NMR line broadening	N,O-diacylhydroxylamines, X-ray diffraction, NMR, IR, ab-initio calculations, tautomerism

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