4-({[6-(4-Chloro-benz-yl)-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl]sulfan-yl}acetyl)-3-phenyl-sydnone.

ABSTRACT: In the title syndone (1,2,3-oxadiazol-3-ylium-5-olate) compound, C(21)H(16)ClN(5)O(4)S, the dihedral angle between the benzene and oxadiazole rings is 55.62 (11)° and that between the triazine and the chloro-substituted phenyl rings is 82.45 (9)°. There is an intra-molecular C-H⋯S hydrogen bond, which generates an S(5) ring motif. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R(2) (2)(20) loops. The dimers are connected by C-H⋯N and C-H⋯O hydrogen bonds.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3099780 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature