13C NMR spectra of 1,3-dipyridyl- and pyridylphenylthioureas. Chemical shift assignments and conformational implications
โ Scribed by L.V. Sudha; D.N. Sathyanarayana; S. Manogaran
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 434 KB
- Volume
- 42
- Category
- Article
- ISSN
- 1386-1425
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โฆ Synopsis
The 13C NMR spectra of a series of 1,3-dipyridyl-and pyridylphenylthioureas have been obtained. Complete analyses of the experimental spectra have provided the chemical shifts and coupling constants. The spectra of dipyridylthioureas over a temperature range showed important changes which could be attributed to an intramolecular conversion between the two equivalent E,Z and Z,E conformations.
The coalescence temperature of the '% signals leads to a AG* of _ 58.0 kJ mol-' for the dynamic process involved. The results show that pyridylphenyl thioureas exist in a single conformation at ambient temperature.
๐ SIMILAR VOLUMES
Complete 13C NMR chemical shift assignments are reported for 32 cyclic and one acyclic 1.3-diketones, either unsubstituted or having one or two substituents at the 2-position. The first two classes exist exclusively in the enol form in (CD,),SO and as mixed tautomers in CDCI,.
A study of molecular conformation by 'H and 13C NMR methods of three 1,Idipyridyl thioureas namely, 1,3-di(2-pyridyl)thiourea (l), 1,3-di(3-pyridyl)thiourea (2), 1-(2-pyridyl)-3-(3-pyridyl)thiourea (3), and also of 1phenyl-3-(2-pyridyl)thiourea ( 4) and 13-diphenylthiourea (5), included for the sake