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.

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].

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3099816 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other