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1 H and 13 NMR study of the structure of 3‐ N ‐(4‐ and 5‐benzimidazolyl or benztriazolyl)amino derivatives of prop‐2‐enoic acid in the liquid and solid states
Author(s) -
Goljer Igor,
Milata Viktor,
Ilavský Dušan
Publication year - 1989
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260270209
Subject(s) - chemistry , tautomer , substituent , benzimidazole , intramolecular force , hydrogen bond , nuclear magnetic resonance spectroscopy , benzotriazole , nmr spectra database , proton nmr , stereochemistry , spectroscopy , crystallography , spectral line , computational chemistry , molecule , organic chemistry , physics , quantum mechanics , astronomy
Benzimidazole‐ and benzotriazole‐amino derivatives of prop‐2‐enoic acid were studied by 1 H NMR spectroscopy in the liquid state and by 13 C NMR spectroscopy in the liquid and solid states. The spectra shows tautomerism of the benzimidazole and benzotriazole rings, E ‐ Z isomerism of the double bond of the propenoic acid substituent and the conformation around the amino NHCH bond. The formation of an intramolecular hydrogen bond between the amino proton and the COOR group of propenoic acid is discussed. The structures of the derivatives are presented on the basis of the 13 C CP‐MAS NMR spectra in the solid state.