4-({[4-Amino-6-(p-bromobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl] sulfanyl}acetyl)-3-phenylsydnone

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Abstract

In the title compound, C20H15BrN6O 4S [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 R22(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].

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Fun, H. K., Quah, C. K., Nithinchandra, & Kalluraya, B. (2011). 4-({[4-Amino-6-(p-bromobenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl] sulfanyl}acetyl)-3-phenylsydnone. Acta Crystallographica Section E: Structure Reports Online, 67(4). https://doi.org/10.1107/S1600536811010798

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