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 (13)C solid-state NMR

The crystal structure of the title compound, C(11)H(13)N(3)O(2)S(2), has been determined previously on the basis of refinement against laboratory powder X-ray diffraction (PXRD) data, supported by comparison of measured and calculated (13)C solid-state NMR spectra [Hangan et al. (2010 ▶). Acta Cryst...

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Detalles Bibliográficos
Autores principales: Li, Xiaozhou, Bond, Andrew D., Johansson, Kristoffer E., Van de Streek, Jacco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4174016/
https://www.ncbi.nlm.nih.gov/pubmed/25093360
http://dx.doi.org/10.1107/S2053229614015356

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4174016/
https://www.ncbi.nlm.nih.gov/pubmed/25093360
http://dx.doi.org/10.1107/S2053229614015356

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