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

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.

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Document Details

Document Type
Technical Report
Publication Date
Apr 01, 1996
Accession Number
ADA308834

Entities

People

  • A. J. Bracuti

Organizations

  • United States Army Armament Research, Development and Engineering Center

Tags

Communities of Interest

  • Air Platforms
  • Weapons Technologies

DTIC Thesaurus Topics

  • Crystal Structure
  • Crystals
  • Data Acquisition
  • Diffraction
  • Displacement
  • Engineering
  • Gun Propellants
  • Hydrogen
  • Imidazoles
  • Molecular Structure
  • Molecules
  • Reflection
  • Scattering
  • Single Crystals
  • Standards
  • X Rays
  • X-Ray Diffraction

Fields of Study

  • Chemistry

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  • Organic Chemistry
  • Quantum Chemistry

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  • Space