{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 5)"],"submitter":["Fun HK"],"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."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1175-6"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3089192"],"repository":["biostudies-literature"],"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."],"pmcid":["PMC3089192"],"pubmed_authors":["Nithinchandra","Fun HK","Kalluraya B","Loh WS"],"additional_accession":[]},"is_claimable":false,"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.","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.","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 May","modification":"2025-04-05T11:55:51.397Z","creation":"2019-03-26T23:59:20Z"},"accession":"S-EPMC3089192","cross_references":{"pubmed":["21754480"],"doi":["10.1107/S1600536811013900"]}}