3-Benzyl-7-(2,4-dichloro-phen-yl)-4H-1,3,4-thia-diazolo[2,3-c][1,2,4]triazin-4-one.

ABSTRACT: In the title compound, C(17)H(10)Cl(2)N(4)OS, the phenyl ring and the H atoms attached to the adjacent C atom are disordered over two positions, with refined site occupancies of 0.509?(8) and 0.491?(8). The planar 4H-1,3,4-thia-diazolo[2,3-c][1,2,4]triazine ring system [maximum deviation = 0.048?(3)?Å] forms dihedral angles of 76.9?(5), 74.9?(5) and 9.88?(12)°, respectively, with the major and minor parts of the disordered phenyl ring and with the dichloro-substituted benzene ring. In the crystal, pairs of C-H?O hydrogen bonds link the mol-ecules, forming inversion dimers with an R(2) (2)(18) graph-set motif. A short S?N contact of 2.801?(3)?Å is observed between the dimers.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3379325 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other