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Crystal structures of rac-2,3-diphenyl-2,3,5,6-tetra-hydro-4H-1,3-thia-zine-1,1,4-trione and N-[(2S,5R)-1,1,4-trioxo-2,3-diphenyl-1,3-thia-zinan-5-yl]acet-amide.


ABSTRACT: The syntheses and crystal structures of two thia-zinone compounds, namely, rac-2,3-diphenyl-2,3,5,6-tetra-hydro-4H-1,3-thia-zine-1,1,4-trione, C16H15NO3S, in its racemic form, and N-[(2S,5R)-1,1,4-trioxo-2,3-diphenyl-1,3-thia-zinan-5-yl]acet-amide, C18H18N2O4S, in an enanti-opure form, are reported. The thia-zine rings in the two structures differ in their puckering, as a half-chair in the first and a boat pucker in the second. The extended structures for both compounds have only C-H⋯O-type inter-actions between symmetry-related mol-ecules, and exhibit no π-π stacking inter-actions in spite of each having two phenyl rings.

SUBMITTER: Yennawar HP 

PROVIDER: S-EPMC9912464 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature

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Crystal structures of <i>rac</i>-2,3-diphenyl-2,3,5,6-tetra-hydro-4<i>H</i>-1,3-thia-zine-1,1,4-trione and <i>N</i>-[(2<i>S</i>,5<i>R</i>)-1,1,4-trioxo-2,3-diphenyl-1,3-thia-zinan-5-yl]acet-amide.

Yennawar Hemant P HP   Lowe Saige L SL   Mammen Matthew M MM   Verhagen Connor R CR   Silverberg Lee J LJ  

Acta crystallographica. Section E, Crystallographic communications 20230131 Pt 2


The syntheses and crystal structures of two thia-zinone compounds, namely, <i>rac</i>-2,3-diphenyl-2,3,5,6-tetra-hydro-4<i>H</i>-1,3-thia-zine-1,1,4-trione, C<sub>16</sub>H<sub>15</sub>NO<sub>3</sub>S, in its racemic form, and <i>N</i>-[(2<i>S</i>,5<i>R</i>)-1,1,4-trioxo-2,3-diphenyl-1,3-thia-zinan-5-yl]acet-amide, C<sub>18</sub>H<sub>18</sub>N<sub>2</sub>O<sub>4</sub>S, in an enanti-opure form, are reported. The thia-zine rings in the two structures differ in their puckering, as a half-chair in  ...[more]

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