The X-ray molecular structure of 1-(2′,4′-dinitrophenyl)-1,2,3-triazole and the problem of the orthogonal interaction between a 'Pyridine-Like' Nitrogen and a nitro group

The structure of the title compound serves for a discussion about the topic of orthogonal interactions. This interaction, although weak, is important due to its peculiar geometry. Other examples from the Cambridge Crystallographic Database, together with theoretical calculations are reported. © CSIRI 2005.