Molecular Structure of Bis (2,2-Dinitropropyl)-Nitramine (BDNPN): Possible RDX Replacement.

Abstract

An x-ray diffraction single-crystal structure determination of Bis(2, 2-dinitropropyl)-nitramine (BDNPN) was carried out. Bis(2, 2-dinitropropyl)-nitramine has the molecular formula C6H10N6O10 and a density of 1.78 g/cc. It crystallizes with two formula weights in the C-centered monoclinic space group C2 (no. 5) with unit cell parameters a = 10.726(4) A, b = 5.992(3) A, c = 10.400(4) A, and beta = 110.01(3) deg. The positions of the atoms were determined with both direct methods and difference Fourier techniques. The structure was refined to a final R value of 0.036. The crystal structure consists of BDNPN molecules oriented along the c axis at 000 and 220. The crystal is held together by van der Waals forces between each molecule and its six nearest-neighbors. The molecule is composed of two gem-dinitropropyl groups bonded to a central nitramine group. A comparison of the thermochemical data of BDNPN, cyclotrimethylenetrinitramine (RDX), and 1, 3, 3-trinitroazetidine (TNAZ) reveals that BDNPN has the highest Impetus and lowest flame temperature within this group of molecules.

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 1996
Accession Number
ADA315464

Entities

People

  • A. J. Bracuti

Organizations

  • United States Army Armament Research, Development and Engineering Center

Tags

Communities of Interest

  • Air Platforms
  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Crystal Structure
  • Crystals
  • Diffraction
  • Electrons
  • Energy
  • Engineering
  • Gun Propellants
  • Materials
  • Molecular Structure
  • Molecules
  • Nitramines
  • Propellants
  • Rdx
  • Single Crystals
  • Van Der Waals Forces
  • X Rays
  • X-Ray Diffraction

Fields of Study

  • Chemistry

Readers

  • Organic Chemistry
  • Parasitology and Pharmacology of Malaria.
  • Rocket Propulsion.

Technology Areas

  • Space