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Structure and conformational analysis of a bidentate pro-ligand, C <inf>21</inf>H<inf>34</inf>N<inf>2</inf>S<inf>2</inf>, from powder synchrotron diffraction data and solid-state DFTB calculations
ArticleAbstract: The molecular and crystalline structure of ethyl 1′,2′, 3′,4′,4a′,5′,6′,7′- octahydrodispiro[cyclohePalabras claves:Autores:Brunelli M., Contreras R.R., Delgado G.E., Edward E. Ávila, Fitch A.N., Luis Rincon, Mora A.J.Fuentes:googlescopusSynthesis, structural characterization, Hirshfeld surface and DFT calculations of 2-ethyl-2,4,5-trimethyl-2H-1,3-thiazine-6(3H)-thione
ArticleAbstract: 2-Ethyl-2,4,5-trimethyl-2H-1,3-thiazine-6(3H)-thione (1) was synthesized from butanone and carbon diPalabras claves:1,3-thiazine, Crystal structure, DFT calculations, Hirshfeld surface, Hydrogen bonds, Sulfur pro-ligandAutores:Araque C.A., Castillo C., Contreras R.R., Delgado G.E., Delgado-Niño P., Edward E. Ávila, Guillen M., Mora A.J.Fuentes:scopus