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1H, 13C and 15N NMR study of N1-alkyl-N2-arylthioureas

✍ Scribed by Iwona Wawer; Vera Koleva

Publisher
John Wiley and Sons
Year
1993
Tongue
English
Weight
407 KB
Volume
31
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

^13^C and ^15^N NMR chemical shifts were measured for N^1^‐alkyl‐N^2^‐arylthioureas. The absence of decoalescence of the N^1^‐alkyl group carbon signals down to 190 K, the europium‐induced chemical shifts and the molecular mechanics calculations indicate that the preferred conformation is E,Z. Solvent effects suggest that N^1^‐alkyl‐N^2^ arylthioureas exist as dimers, forming an eight‐membered ring hydrogen bonded complex. In N^1^, N^1^‐dimethyl‐N^2^‐phenylthiourea the barrier to rotation around the CN^1^ bond is 47 kJ mol^−1^ (from ^13^C NMR, in CD~2~Cl~2~). The upfield N^1^‐CH~3~ signal in both the ^1^H and ^13^C NMR spectra results from the methyl group anti to the CS and the low‐field signal from the syn methyl group.

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