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1 H NMR spectra and conformational analysis of some 1,4‐dithiepan‐6‐ones
Author(s) -
Cook Michael J.,
GhaemMaghami Ghoabad,
Kaberia Festus,
Bergesen Knut
Publication year - 1983
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/omr.1270210511
Subject(s) - conformational isomerism , twist , ring (chemistry) , chemistry , nmr spectra database , crystallography , spectral line , oxide , stereochemistry , solid state , computational chemistry , molecule , physics , organic chemistry , mathematics , geometry , astronomy
1 H NMR Parameters are reported for five 1,4‐dithiepan‐6‐ones. 1,4‐Dithiepan‐6‐one 1‐oxide exists in solution as an equilibrium involving two different twist‐chair conformations, which contrasts with its conformational behaviour in the solid state. Twist‐chair conformers are also adopted by other members of the series, the favoured form varying with ring substitution. The SO bond in 1,4‐dithiepan‐6‐one 1‐oxide and in its 5,5‐dimethyl analogue exhibit a preference for the pseudoaxial site.