Accession Number : ADA310315

Title :   Molecular Structure of a New Potential Propellant Oxidizer 4,5-Dinitroimidazole (45DNI).

Descriptive Note : Technical rept.,

Corporate Author : ARMY ARMAMENT RESEARCH DEVELOPMENT AND ENGINEERING CENTER PICATINNY ARSENAL N J ARMAMENT ENGINEERING DIRECTORATE

Personal Author(s) : Bracuti, A. J.

PDF Url : ADA310315

Report Date : MAY 1996

Pagination or Media Count : 19

Abstract : 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 1/n (14) with unit-cell dimensions: a = 11.5360(8), b = 9.071(1), c = 11.822(1) A, b = 107.640(6) deg, and Z = 8 and has a density of 1.781 g/cu cm. The molecular packing consists of infinite chains of 45DNI molecules hydrogen linked by two different hydrogen bonds N(1)-H(1)...N(31) and N(11)-H(11)...N(3)) approximately in the diagonal ac direction (1 0 -1). The chains are held together by molecular interactions in the lateral directions.

Descriptors :   *PROPELLANTS, *OXIDIZERS, *MOLECULAR STRUCTURE, *IMIDAZOLES, *NITRO RADICALS, MICROSTRUCTURE, MOLECULES, ALTERNATING CURRENT, CRYSTALS, ISOMERS, CHAINS, PACKAGING, BONDING, MOLECULE MOLECULE INTERACTIONS, ENERGETIC PROPERTIES, NITROGEN COMPOUNDS.

Subject Categories : Inorganic Chemistry
      Polymer Chemistry
      Miscellaneous Materials
      Crystallography
      Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE