5-(1-Benzyl-1H-1,2,3-triazol-4-yl)-2,1,3-benzoxadiazole.

ABSTRACT: In the title compound, C(15)H(11)N(5)O, which was prepared as part of a study to identify fluoro-genic substrates for the Cu-catalysed azide-alkyne cyclo-addition (CuAAC) reaction, the benzoxa-diazole unit and the triazole ring are much more closely coplanar [dihedral angle = 10.92 (7)°] than either is to the benzyl group [dihedral angles = 69.13 (3)° and 78.20 (4)°, respectively]. The crystal structure features two different sets of weak inter-molecular C-H⋯N inter-actions between adjacent benzoxadiazole and triazole rings, forming a chain that propagates in the [-110] direction parallel to the ab plane.

SUBMITTER: Key JA 

PROVIDER: S-EPMC3515234 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature