Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)


organic compounds



rz5053 scheme

Acta Cryst. (2013). E69, o667-o668    [ doi:10.1107/S1600536813008970 ]

2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole

R. Centore, V. Piccialli and A. Tuzi

Abstract: The title compound, C14H10N2O3, is a [pi]-conjugated molecule containing a benzoxazole aromatic fused heterobicycle. The benzoxazole ring system is planar within 0.01 Å. The molecule assumes an approximately flat conformation, the benzoxazole ring system forming dihedral angles of 6.52 (12) and 7.4 (3)° with the benzene ring and the nitro group, respectively. In the crystal, molecules are connected by very weak C-H...O hydrogen interactions, forming chains running parallel to the a or c axes. The methyl H atoms are disordered over two sets of sites of equal occupancy rotated by 60°.


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