Abstract
The hexanitrocubane structure, C8H2N6O12, reported herein, is one of the last in the series of nitrocubanes, ranging from mono- to octanitrocubane. In this molecule, the H atoms participate in short hydrogen-bonding contacts to the nitro O atoms in adjoining molecules [2.50 (1) Å], thus linking molecules into a two-dimensional sheet in the bc plane. In addition, the O⋯O contacts in hexanitrocubane are shorter than van der Waals contact distances. The shortest of these [2.766 (3) Å] involve the O atoms of one of the attached nitro groups. These contacts involve molecules in an extended two-dimensional sheet parallel to the ab plane.
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