Crystal structure of 1,10-phenanthrolinium 3-hydroxy-2,4,6-trinitrophenolate

Abstract

In the title molecular salt, C12H9N2+·C6H2N3O8−, the cation and anion are connected by an N—H...O hydrogen bond. In the anion, an intramolecular O—H...O hydrogen bond with an S(6) ring motif is observed. The planes of two of the nitro groups are approximately parallel to the plane of the benzene ring, making dihedral angles of 3.9 (2) and 15.3 (2)°, while the third nitro group is almost perpendicular to the benzene ring, with a dihedral angle of 78.6 (3)°. In the crystal, cation–anion pairs related by an n-glide plane are connected by C—H...O hydrogen bonds, forming a chain structure along [101]. Sensitivity tests and thermal testing indicate that the title salt is an insensitive high-energy-density material (IHEDM).

Keywords

• crystal structure
• spectroscopic characterization
• sensitivity test
• thermal testing
• high energy density material
• IHDEM