{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Yennawar HP"],"funding":["National Institutes of Health, SIG S10","NCRR NIH HHS","NIH HHS","National Science Foundation"],"pagination":["120-123"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9912464"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["79(Pt 2)"],"pubmed_abstract":["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 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."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pubmed_title":["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."],"pmcid":["PMC9912464"],"funding_grant_id":["S10 RR023439","1S10RR023439–01","CHEM-0131112","S10 OD028589","1S10OD028589–01"],"pubmed_authors":["Mammen MM","Lowe SL","Yennawar HP","Verhagen CR","Silverberg LJ"],"additional_accession":[]},"is_claimable":false,"name":"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.","description":"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 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.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jan","modification":"2025-08-13T03:04:30.787Z","creation":"2025-04-04T11:17:14.021Z"},"accession":"S-EPMC9912464","cross_references":{"pubmed":["36793410"],"doi":["10.1107/S2056989023000695"]}}