Accession Number : ADA308834

Title :   Structural Features of 2,4-Dinitroimidazole (24DNI).

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 : ADA308834

Report Date : APR 1996

Pagination or Media Count : 16

Abstract : A single-crystal x-ray diffraction study verified that the target oxidizer molecule 2,4-dinitroimidazole (24DNI) was synthesized by thermal rearrangement of 1, 4-dinitroimidazole. 24DNI crystallizes in the orthorhombic space group, Pbca, with unit-cell dimensions: a = 10.127(2), b = 18.497(2), c = 6.3337(2) A. and Z = 8 and has a density of 1.770 g/cu cm. Positions of the heavy atoms were determined with direct methods and the hydrogen atoms were located with difference Fourier methods. The structure was refined to a final R value of 0.060 493 REFLECTIONS WITH I > 3 sigma (I). The molecular N(1)-H(1). . .N(3), hydrogen bonded in the a direction which are held together in the lateral directions by molecular forces. Some structural features of 24DNI are compared with those of 1, 4-dinitroimidazole.

Descriptors :   *MOLECULAR STRUCTURE, *IMIDAZOLES, *NITRO RADICALS, THERMAL PROPERTIES, MICROSTRUCTURE, X RAY DIFFRACTION, SINGLE CRYSTALS, ATOMS, HYDROGEN, OXIDIZERS, FOURIER ANALYSIS.

Subject Categories : Organic Chemistry
      Inorganic Chemistry
      Atomic and Molecular Physics and Spectroscopy
      Thermodynamics

Distribution Statement : APPROVED FOR PUBLIC RELEASE