Synthesis and Crystal Structure of 3-(4-Cyano-3-nitro-1H-pyrazol-5-yl)-4-nitrofurazan: Comparison of the Influence of the NO2 and CN Groups on Crystal Packing and Density

The title compound was synthesized and characterized by IR NMR spectroscopy single crystal X-ray diffraction. analysis of the packing its analog, bearing a nitro group instead nitrile one, allowed direct comparison two common explosophoric groups: CN NO2. By using ΔOED-based densification approach, it is shown that lighter in mass, less dense, participates intermolecular bonding to lesser extent NO2 group. As result, cyano has lower density looser than analog.