{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 4)"],"submitter":["Fun HK"],"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]."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1004"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3099816"],"repository":["biostudies-literature"],"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."],"pmcid":["PMC3099816"],"pubmed_authors":["Nithinchandra","Fun HK","Kalluraya B","Quah CK"],"additional_accession":[]},"is_claimable":false,"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.","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].","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Apr","modification":"2025-04-04T23:27:22.952Z","creation":"2019-03-26T23:59:22Z"},"accession":"S-EPMC3099816","cross_references":{"pubmed":["21754025"],"doi":["10.1107/S1600536811010798"]}}