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In the title compound, C36H24Br3N3O6·C7H8, the toluene solvent mol­ecule is associated with the receptor mol­ecule via C—H...π bonding. The planes of the phthalimido groups are inclined at 77.0 (1), 63.0 (1) and 77.8 (1)° with respect to the benzene ring. The mol­ecular conformation is stabilized by C—H...O and C—H...Br hydrogen bonds. The crystal structure features non-classical hydrogen bonds of the C—H...N, C—H...O and C—H...Br type, leading to a three-dimensional cross-linking of molecules. The pattern of non-covalent inter­molecular bonding is completed by O...Br halogen bonds [3.306 (3) Å], which link the receptor mol­ecules into infinite strands extending along the a-axis direction.

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An improved crystal structure of the title compound, C6H6N2O3, is reported. The structure, previously solved [Li et al. (1987). Jiegou Huaxue (Chin. J. Struct. Chem.), 6, 20–24] in the ortho­rhom­bic space group Pca21 and refined to R = 0.067, has been solved in the ortho­rhom­bic space group Pbcm with data of enhanced quality, giving an improved structure (R = 0.0485). The mol­ecule adopts a planar conformation with all atoms lying on a mirror plane. The crystal structure is composed of mol­ecular sheets extending parallel to the ab plane and connected via C—H...O contacts involving ring H atoms and O atoms of the N-oxide and nitro groups, while van der Waals forces consolidate the stacking of the layers.
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