Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Chemistry and Pharmacology
The title compound, C4H4N6O4, crystallizes in the monoclinic space group P21/c, and is an energetic compound containing only C, H, N and O atoms, with a density of 1.812 Mg m−3. Thus, it is a very stable diaza analog of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). Like TATB, it packs in planar graphite-like layers in the ab plane, with molecules held together by intermolecular hydrogen bonding. Both compounds decompose at temperatures above 573 K and are insoluble in most common solvents. Crystals of the title compound are usually twinned (twins related by a 180° rotation about a*) and the crystal analyzed had a minor twin component.
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