Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)


organic compounds



pk2452 scheme

Acta Cryst. (2012). E68, o3368    [ doi:10.1107/S1600536812046478 ]

1-Allyl-6-nitro-1H-indazole

N. El Brahmi, M. Benchidmi, E. M. Essassi, S. Ladeira and L. El Ammari

Abstract: The fused five- and six-membered rings in the title molecule, C10H9N3O2, are essentially coplanar, the largest deviation from the mean plane being 0.012 (1) Å for the C atom linked to the nitro group. The fused-ring system makes a dihedral angle of 11.34 (6)° with the nitro group, leading to a syn-periplanar conformation. The plane through the atoms forming the allyl group is nearly perpendicular to the indazole fused-ring system, as indicated by the dihedral angle of 73.3 (5)°. In the crystal, each molecule is linked to its symmetry equivalent about the center of inversion by pairs of non-classical C-H...O hydrogen bonds, forming an extended tape motif parallel to the (-12-1) plane.


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