Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 11 (November 2012)

organic compounds

Acta Cryst. (2012). E68, o3132    [ doi:10.1107/S1600536812041839 ]


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

Abstract: The title compound, C15H17N5O2, was synthesized as part of a series of benzoxadiazole analogs which were examined for fluorescent properties by Cu-catalysed azide-alkyne cyclo­addition (CuAAC) of a 4-azido­methyl-benzoxadiazole substrate. The structure shows a nearly coplanar orientation of the hexa­none keto group and the 1,2,3-triazole ring [dihedral angle = 4.3 (3)°], while the benzoxadiazole and triazole groups are much more severely inclined [dihedral angle = 70.87 (4)°]. In the crystal, weak C-H...N inter­actions connect translationally-related triazole rings, while another set of C-H...N inter­actions is formed between inversion-related benzoxadiazole units, forming a three-dimensional network. The crystal studied was a non-merohedral twin with refined value of the twin fraction of 0.2289 (16).

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