Structural Features of 2-Nitroguanidine

Abstract

The crystal and molecular structure of solid nitroguanidine (NO) was refined using x-ray single-crystal diffraction methods. Previous structure determinations yielded values for the imino C-N bond that either equaled or exceeded the amino C-N single bond lengths, but these data were neither precise nor particularly accurate. This study was undertaken to obtain more precise and accurate structural parameters. The experimental structural parameters of crystalline NQ are compared to the theoretical structural parameters of the isolated NO molecule. This investigation confirms that the C-N bond anomaly was real. However, it is concluded that the anomaly in the C-N bonds in crystalline NO is a result of the strong intermolecular hydrogen bond forces and to a lesser extent the intermolecular forces in the NO crystal structure. It is also concluded that these same intermolecular hydrogen bond forces are responsible for the enhanced insensitivity of NO to impact.

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Document Details

Document Type
Technical Report
Publication Date
Jun 01, 2003
Accession Number
ADA415256

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

  • Bulk Materials
  • Crystal Structure
  • Crystals
  • Engineering
  • First Principles Calculations
  • Guanidines
  • Hydrogen
  • Hydrogen Bonds
  • Materials
  • Molecular Structure
  • Molecular Weight
  • Molecules
  • Nitroguanidine
  • Radiation
  • Rdx
  • Triple Base Propellants
  • X Rays

Fields of Study

  • Chemistry

Readers

  • Agricultural Chemistry/Soil Science
  • Combustion science or combustion engineering.
  • Materials Science and Engineering.