Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-di­hydro-1,3,4-thia­diazol-2-yl­idene)-4-methyl­benzene­sulfonamide using DFT-D calculations and 13C solid-state NMR

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

IUCr IT WDC

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Figure 3
Rietveld plots for the refined experimental structures of (I)

and (II). The PXRD data are taken from Hangan et al. (2010

). Key: red crosses = measured data, blue line = calculated pattern and black line = difference curve.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

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