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N, N-Dimethyl-3-Hydroxy-2-Butenethioamide

K. Honda and T. Tsuchiya
[Acta Crystallogr. Sec. C, Vol.53, pp.374-376, 1997]


The crystal structure of the title compound was solved by X-ray structure analysis. The crystal data are: monoclinic space group P21/m; a = 8.472(2), b = 7.107(2), c = 6.533(2) ; beta = 99.84(2); V = 387.6(2) 3; Z = 2. The molecule adopts an enol constitution which is stabilized by intramolecular O-H...S hydrogen bond [O...S 2.895(4) ], even though some molecular orbital calculations suggested that the corresponding enethiol tautomer was the most stable.


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