Acta Cryst. (2013). C69, 150-155 [ doi:10.1107/S0108270112050822 ]
Abstract: Isomeric 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone, C13H10BrN3O3, both crystallize with two molecules in the asymmetric unit. In both isomers, an intramolecular O-HN hydrogen bond links the hydroxy group and the imine N atom. In the 5-bromo-3-nitro isomer, there are two independent N-HO hydrogen-bonded chains, each molecule in the asymmetric unit forming its own chain. These chains are then linked to form a three-dimensional framework by a combination of weak C-HO, C-HBr, C-H and - stacking interactions. In the 3-bromo-5-nitro isomer, N-HO hydrogen bonds link the independent molecules alternately into a zigzag chain, which is reinforced by a weak C-HO interaction. Individual chains are linked by a C-HBr interaction and a three-dimensional framework is generated by - stacking interactions.
Formula: Two isomers of C13H10BrN3O3
Structure factor file (CIF format) (295.5 kbytes)
Structure factor file (CIF format) (287.1 kbytes)
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