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A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)

Two conformational crystal polymorphs of 3-diethylamino-4-(4-methoxyphenyl)-1,1-dioxo-4H-1λ(6),2-thiazete-4-carbonitrile (DTC) have been analyzed in the 100 K-room temperature range by single crystal X-ray diffraction and high quality DFT calculations. DTC has strongly polar as well as aliphatic sub...

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Detalles Bibliográficos
Autores principales:	Gionda, Andrea, Macetti, Giovanni, Loconte, Laura, Rizzato, Silvia, Orlando, Ahmed M., Gatti, Carlo, Lo Presti, Leonardo
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9090575/ https://www.ncbi.nlm.nih.gov/pubmed/35559076 http://dx.doi.org/10.1039/c8ra08063a

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