Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 11 (November 2012)


organic compounds



mw2083 scheme

Acta Cryst. (2012). E68, o3130-o3131    [ doi:10.1107/S1600536812041827 ]

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

J. A. Key, C. W. Cairo and R. McDonald

Abstract: In the title compound, C15H11N5O, which was prepared as part of a study to identify fluorogenic substrates for the Cu-catalysed azide-alkyne cycloaddition (CuAAC) reaction, the benzoxadiazole 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 intermolecular C-H...N interactions between adjacent benzoxadiazole and triazole rings, forming a chain that propagates in the [-110] direction parallel to the ab plane.


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