Acta Cryst. (2005). C61, o515-o517 [doi:10.1107/S010827010502158X]
Abstract: The structures of the two title isomeric compounds (systematic names: N-methyl-N,2-dinitroaniline and N-methyl-N,3-dinitroaniline, both C7H7N3O4) are slightly different because they exhibit different steric hindrances and hydrogen-bonding environments. The aromatic rings are planar. The -N(Me)NO2 and -NO2 groups are not coplanar with the rings. Comparison of the geometric parameters of the ortho, meta and para isomers together with those of N-methyl-N-phenylnitramine suggests that the position of the nitro group has a strong influence on the aromatic ring distortion. The crystal packing is stabilized by weak C-H
O hydrogen bonds to the nitramine group.
Formula: C7H7N3O4 and C7H7N3O4
 |   Structure factor file (CIF format) (70.9 kbytes) |
| Structure factor file (CIF format) (80.7 kbytes) |
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