3-{[5-(4-Bromo-phen-yl)imidazo[2,1-b][1,3,4]thia-diazol-2-yl]meth-yl}-1,2-benzoxazole.

ABSTRACT: In the title compound, C(18)H(11)BrN(4)OS, the imidazothia-diazole and benzisoxazole rings are individually planar with maximum deviations of 0.025?(3) 0.015?(4)?Å, respectively, and are inclined at an angle of 23.51?(7)° with respect to each other. The planes of the imidazothia-diazole and bromo-phenyl rings are inclined at an angle of 27.34?(3)°. In the crystal, inter-molecular C-H?N inter-actions result in chains of mol-ecules along the b and c axes. Moreover, C-H?O inter-actions result in centrosymmetric head-to-head dimers with R(2) (2)(24) graph-set motifs. The mol-ecular packing is further stabilized by ?-? stacking inter-actions between the imidazole rings with a shortest centroid-centroid distance of 3.492?(3)?Å. In addition, C-H?? inter-actions are observed in the crystal structure.

SUBMITTER: Banu A 

PROVIDER: S-EPMC3050133 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature