Molecular Structure of a New Potential Propellant Oxidizer 4,5-Dinitroimidazole (45DNI).
ARMY ARMAMENT RESEARCH DEVELOPMENT AND ENGINEERING CENTER PICATINNY ARSENAL N J ARMAMENT ENGINEERING DIRECTORATE
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A single crystal x-ray diffraction study verified that the target oxidizer molecule 4,5-dinitroimidazole 45DNI had, indeed, been synthesized. Some structural features of 45DNI are compared with those of 1,4-dinitroimidazole 14DNI and 2,4-dinitroimidazole 24DNI. 45DNI, in not planar, but the aromatic imidazole moiety is planar and the nitro groups twisted out the plane. The ring C-C and C-N bonds are all partial double bonds. 45DNI crystallizes with two crystallographically unique molecules in the monoclinic space group P2 sub 1n 14 with unit-cell dimensions a 11.53608, b 9.0711, c 11.8221 A, b 107.6406 deg, and Z 8 and has a density of 1.781 gcu cm. The molecular packing consists of infinite chains of 45DNI molecules hydrogen linked by two different hydrogen bonds N1-H1...N31 and N11-H11...N3 approximately in the diagonal ac direction 1 0 -1. The chains are held together by molecular interactions in the lateral directions.
- Inorganic Chemistry
- Polymer Chemistry
- Miscellaneous Materials
- Atomic and Molecular Physics and Spectroscopy