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Digitale Medien

Crystal structure and spectroscopy of 4-N-benzylaminocoumarin (1995)

Campbell, John L. E. ; Barton, Richard J. ; Gear, James R. ; [weitere]

Springer

Journal of chemical crystallography 25 (1995), S. 245-248

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Details

ISSN: 1572-8854

Schlagwort(e): X-ray diffraction ; Ft-ir- ; 1H- ; 13C-nmr spectra

Quelle: Springer Online Journal Archives 1860-2000

Thema: Geologie und Paläontologie , Physik

Notizen: Abstract The structure of 4-N-benzylaminocoumarin (C16H13NO2) has been determined by X-ray diffraction and the Ft-ir,1H- and13C-nmr spectra of the compound were recorded. Crystals of the compound are monoclinic, space group P21/c, with cell dimensiona=8.077(2),b=14.598(4),c=10.890(3) Å, and β=97.76(3)°. The Ft-ir and nmr spectra indicate that the nitrogen atom is in the amino form in solution. The crystal structure is consistent with this observation, but the C(3)−C(4) double bond is clearly delocalized to include the lone pair on the nitrogen atom.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1007/BF01665178

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