Xiaozhou Li, A. Bond, K. E. Johansson
Jul 19, 2014
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Influential Citations
15
Citations
Journal
Acta Crystallographica. Section C, Structural Chemistry
Abstract
The crystal structure of (Z)-N-(5-ethyl-2,3-dihydro-1,3,4-thiadiazol-2-ylidene)-4-methylbenzenesulfonamide contains an imine tautomer, rather than the previously reported amine tautomer. The tautomers can be distinguished using dispersion-corrected density functional theory calculations and by comparison of calculated and measured 13C solid-state NMR spectra.