<HashMap><database>biostudies-literature</database><scores/><additional><submitter>Yennawar HP</submitter><funding>National Institutes of Health, SIG S10</funding><funding>NCRR NIH HHS</funding><funding>NIH HHS</funding><funding>National Science Foundation</funding><pagination>120-123</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC9912464</full_dataset_link><repository>biostudies-literature</repository><omics_type>Unknown</omics_type><volume>79(Pt 2)</volume><pubmed_abstract>The syntheses and crystal structures of two thia-zinone compounds, namely, &lt;i>rac&lt;/i>-2,3-diphenyl-2,3,5,6-tetra-hydro-4&lt;i>H&lt;/i>-1,3-thia-zine-1,1,4-trione, C&lt;sub>16&lt;/sub>H&lt;sub>15&lt;/sub>NO&lt;sub>3&lt;/sub>S, in its racemic form, and &lt;i>N&lt;/i>-[(2&lt;i>S&lt;/i>,5&lt;i>R&lt;/i>)-1,1,4-trioxo-2,3-diphenyl-1,3-thia-zinan-5-yl]acet-amide, C&lt;sub>18&lt;/sub>H&lt;sub>18&lt;/sub>N&lt;sub>2&lt;/sub>O&lt;sub>4&lt;/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.</pubmed_abstract><journal>Acta crystallographica. Section E, Crystallographic communications</journal><pubmed_title>Crystal structures of &lt;i>rac&lt;/i>-2,3-diphenyl-2,3,5,6-tetra-hydro-4&lt;i>H&lt;/i>-1,3-thia-zine-1,1,4-trione and &lt;i>N&lt;/i>-[(2&lt;i>S&lt;/i>,5&lt;i>R&lt;/i>)-1,1,4-trioxo-2,3-diphenyl-1,3-thia-zinan-5-yl]acet-amide.</pubmed_title><pmcid>PMC9912464</pmcid><funding_grant_id>S10 RR023439</funding_grant_id><funding_grant_id>1S10RR023439–01</funding_grant_id><funding_grant_id>CHEM-0131112</funding_grant_id><funding_grant_id>S10 OD028589</funding_grant_id><funding_grant_id>1S10OD028589–01</funding_grant_id><pubmed_authors>Mammen MM</pubmed_authors><pubmed_authors>Lowe SL</pubmed_authors><pubmed_authors>Yennawar HP</pubmed_authors><pubmed_authors>Verhagen CR</pubmed_authors><pubmed_authors>Silverberg LJ</pubmed_authors></additional><is_claimable>false</is_claimable><name>Crystal structures of &lt;i>rac&lt;/i>-2,3-diphenyl-2,3,5,6-tetra-hydro-4&lt;i>H&lt;/i>-1,3-thia-zine-1,1,4-trione and &lt;i>N&lt;/i>-[(2&lt;i>S&lt;/i>,5&lt;i>R&lt;/i>)-1,1,4-trioxo-2,3-diphenyl-1,3-thia-zinan-5-yl]acet-amide.</name><description>The syntheses and crystal structures of two thia-zinone compounds, namely, &lt;i>rac&lt;/i>-2,3-diphenyl-2,3,5,6-tetra-hydro-4&lt;i>H&lt;/i>-1,3-thia-zine-1,1,4-trione, C&lt;sub>16&lt;/sub>H&lt;sub>15&lt;/sub>NO&lt;sub>3&lt;/sub>S, in its racemic form, and &lt;i>N&lt;/i>-[(2&lt;i>S&lt;/i>,5&lt;i>R&lt;/i>)-1,1,4-trioxo-2,3-diphenyl-1,3-thia-zinan-5-yl]acet-amide, C&lt;sub>18&lt;/sub>H&lt;sub>18&lt;/sub>N&lt;sub>2&lt;/sub>O&lt;sub>4&lt;/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.</description><dates><release>2023-01-01T00:00:00Z</release><publication>2023 Jan</publication><modification>2025-08-13T03:04:30.787Z</modification><creation>2025-04-04T11:17:14.021Z</creation></dates><accession>S-EPMC9912464</accession><cross_references><pubmed>36793410</pubmed><doi>10.1107/S2056989023000695</doi></cross_references></HashMap>