<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>67(Pt 5)</volume><submitter>Fun HK</submitter><pubmed_abstract>The title compound, C(19)H(15)ClN(6)O(3)S, exists in trans and cis configurations with respect to the acyclic C=N bonds. The 3,6-dihydro-2H-1,3,4-thia-diazine ring adopts a half-boat conformation. The sydnone ring is approximately planar [maximum deviation = 0.013 (1) Å] and forms dihedral angles of 34.76 (4) and 48.67 (4)° with the benzene rings. An intra-molecular C-H⋯O hydrogen bond stabilizes the mol-ecular structure and forms an S(6) ring motif. In the crystal packing, inter-molecular N-H⋯N hydrogen bonds link centrosymmetrically related mol-ecules into dimers, generating R(2) (2)(8) ring motifs. The dimers are then linked into a three-dimensional network by inter-molecular C-H⋯O and C-H⋯Cl hydrogen bonds, and by C-H⋯π inter-actions. Further stabilization is provided by π-π inter-actions involving the sydnone rings, with centroid-centroid separations of 3.4198 (5) Å.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1175-6</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3089192</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>4-{2-[2-(4-Chloro-benzyl-idene)hydrazinyl-idene]-3,6-dihydro-2H-1,3,4-thia-diazin-5-yl}-3-(4-meth-oxy-phen-yl)sydnone.</pubmed_title><pmcid>PMC3089192</pmcid><pubmed_authors>Nithinchandra</pubmed_authors><pubmed_authors>Fun HK</pubmed_authors><pubmed_authors>Kalluraya B</pubmed_authors><pubmed_authors>Loh WS</pubmed_authors></additional><is_claimable>false</is_claimable><name>4-{2-[2-(4-Chloro-benzyl-idene)hydrazinyl-idene]-3,6-dihydro-2H-1,3,4-thia-diazin-5-yl}-3-(4-meth-oxy-phen-yl)sydnone.</name><description>The title compound, C(19)H(15)ClN(6)O(3)S, exists in trans and cis configurations with respect to the acyclic C=N bonds. The 3,6-dihydro-2H-1,3,4-thia-diazine ring adopts a half-boat conformation. The sydnone ring is approximately planar [maximum deviation = 0.013 (1) Å] and forms dihedral angles of 34.76 (4) and 48.67 (4)° with the benzene rings. An intra-molecular C-H⋯O hydrogen bond stabilizes the mol-ecular structure and forms an S(6) ring motif. In the crystal packing, inter-molecular N-H⋯N hydrogen bonds link centrosymmetrically related mol-ecules into dimers, generating R(2) (2)(8) ring motifs. The dimers are then linked into a three-dimensional network by inter-molecular C-H⋯O and C-H⋯Cl hydrogen bonds, and by C-H⋯π inter-actions. Further stabilization is provided by π-π inter-actions involving the sydnone rings, with centroid-centroid separations of 3.4198 (5) Å.</description><dates><release>2011-01-01T00:00:00Z</release><publication>2011 May</publication><modification>2025-04-05T11:55:51.397Z</modification><creation>2019-03-26T23:59:20Z</creation></dates><accession>S-EPMC3089192</accession><cross_references><pubmed>21754480</pubmed><doi>10.1107/S1600536811013900</doi></cross_references></HashMap>