<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>67(Pt 4)</volume><submitter>Fun HK</submitter><pubmed_abstract>In the title compound, C(20)H(15)BrN(6)O(4)S [symstematic name: 4-({[4-amino-6-(p-bromo-benz-yl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan-yl}acet-yl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate], the 4,5-dihydro-1,2,4-triazine ring is essentially planar [maximum deviation = 0.020 (1) Å] and is inclined at dihedral angles of 89.06 (9), 82.21 (8) and 83.98 (8)° with respect to the oxadiazol-3-ium, phenyl and benzene rings. The oxadiazol-3-ium ring forms dihedral angles of 52.71 (9) and 8.77 (9)°, respectively, with the phenyl and benzene rings. In the crystal, the mol-ecules are linked via pairs of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(10) ring motifs and are further linked via inter-molecular N-H⋯N and weak C-H⋯O hydrogen bonds into infinite columns along [100].</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1004</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3099816</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>4-({[4-Amino-6-(p-bromo-benz-yl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan-yl}acet-yl)-3-phenyl-sydnone.</pubmed_title><pmcid>PMC3099816</pmcid><pubmed_authors>Nithinchandra</pubmed_authors><pubmed_authors>Fun HK</pubmed_authors><pubmed_authors>Kalluraya B</pubmed_authors><pubmed_authors>Quah CK</pubmed_authors></additional><is_claimable>false</is_claimable><name>4-({[4-Amino-6-(p-bromo-benz-yl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan-yl}acet-yl)-3-phenyl-sydnone.</name><description>In the title compound, C(20)H(15)BrN(6)O(4)S [symstematic name: 4-({[4-amino-6-(p-bromo-benz-yl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan-yl}acet-yl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate], the 4,5-dihydro-1,2,4-triazine ring is essentially planar [maximum deviation = 0.020 (1) Å] and is inclined at dihedral angles of 89.06 (9), 82.21 (8) and 83.98 (8)° with respect to the oxadiazol-3-ium, phenyl and benzene rings. The oxadiazol-3-ium ring forms dihedral angles of 52.71 (9) and 8.77 (9)°, respectively, with the phenyl and benzene rings. In the crystal, the mol-ecules are linked via pairs of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(10) ring motifs and are further linked via inter-molecular N-H⋯N and weak C-H⋯O hydrogen bonds into infinite columns along [100].</description><dates><release>2011-01-01T00:00:00Z</release><publication>2011 Apr</publication><modification>2025-04-04T23:27:22.952Z</modification><creation>2019-03-26T23:59:22Z</creation></dates><accession>S-EPMC3099816</accession><cross_references><pubmed>21754025</pubmed><doi>10.1107/S1600536811010798</doi></cross_references></HashMap>