The 1,10-phenanthrolinium cation and 3-hydroxy-2,4,6-trinitrophenolate anion are held together through an N—H⋯O hydrogen bond. In the crystal, cation–anion pairs are connected by C—H⋯O hydrogen bonds, forming a chain structure along [101]. Spectroscopic data also support the formation of a molecular salt. Sensitivity tests and thermal testing indicate that it is an insensitive high energy density material (IHEDM).
In the crystal of the title molecular salt, the pyridinium cation and the 3-hydroxy-2,4,6-trinitrophenolate anion are linked through bifurcated N—H⋯(O,O) hydrogen bonds forming an (6) ring motif. Impact, friction sensitivity tests and TGA/DTA studies on this compound imply that it is an insensitive high-energy-density material.
In the title molecule, C12H6N4O8S2, the dihedral angle between the benzene rings is 77.00 (8)°. The mean planes of the nitro groups are twisted slightly from the benzene rings, forming dihedral angles in the range 2.3 (2)–8.6 (3)°. The S—S bond length is 2.0458 (7) Å. Each S atom is essentially coplanar with the benzene ring to which it is attached, with deviations from the ring planes of 0.0163 (5) and 0.0538 (5) Å. In the crystal, molecules are linked through weak C—H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001).
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