Crystal and Molecular Structure of a co-Crystal of 5-Nitrimino-1,4H-1,2,4-triazole with Dimethyl Sulfoxide

The structure of the labile co-crystal of 5-nitrimino-1,4 Н -1,2,4-triazole with dimethyl sulfoxide was determined by X-ray diffraction. It was established that the molecule, previously known as 3(5)-nitramino-1,2,4-triazole, has a nitrimine structure. The geometric parameters of the molecules are similar to those of other nitrimino-1,2,4-triazoles. Intermolecular interactions in the co-crystal are considered. An explanation is provided for the lability of the co-crystal.