organic compounds
Open access
In the title compound, C36H24Br3N3O6·C7H8, the toluene solvent molecule is associated with the receptor molecule via C—Hπ 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—HO and C—HBr hydrogen bonds. The crystal structure features non-classical hydrogen bonds of the C—HN, C—HO and C—HBr type, leading to a three-dimensional cross-linking of molecules. The pattern of non-covalent intermolecular bonding is completed by OBr halogen bonds [3.306 (3) Å], which link the receptor molecules into infinite strands extending along the a-axis direction.
organic compounds
Open access
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—HO 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.