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Conformational analysis and J (HCOH) of α‐hydroxy‐ N ‐caproylhydrazobenzene, a degradation product of phenylbutazone
Author(s) -
Neville G. A.,
Awang D. V. C.
Publication year - 1970
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270020405
Subject(s) - dihedral angle , chemistry , intramolecular force , hydrogen bond , solvent , degradation (telecommunications) , stereochemistry , medicinal chemistry , computational chemistry , organic chemistry , molecule , computer science , telecommunications
—Intramolecular OH… N hydrogen bonding between the hydroxylic and terminal amino groups of α‐hydroxy‐ N ‐caproylhydrazobenzene ( 5 ) permits J (HCOH) to be observed in most solvents. The configuration and conformation of 5 are discussed and an HCOH dihedral angle (ϕ) of 145° is calculated. Solvent effects on J (HCOH) as well as the role they appear to exert in restricting internal rotation of the phenyl substituents of 5 are discussed.