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):

Report Date:

1996-05-01

Pagination or Media Count:

19.0

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 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.

Subject Categories:

  • Inorganic Chemistry
  • Polymer Chemistry
  • Miscellaneous Materials
  • Crystallography
  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE