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Related Experiment Videos

2-nitrimino-1-nitroimidazolidine.

Alexander D Vasiliev1, Alexander M Astachov, Maxim S Molokeev

  • 1Institute of Physics, Krasnoyarsk 660036, Russia. adva@iph.krasn.ru

Acta Crystallographica. Section C, Crystal Structure Communications
|August 29, 2003
PubMed
Summary

The crystal structure of C(3)H(5)N(5)O(4) reveals a planar molecular geometry. This molecule forms dimers through intermolecular hydrogen bonds, showcasing unique electronic conjugation between nitro groups.

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Area of Science:

  • Crystallography
  • Molecular Chemistry
  • Organic Chemistry

Background:

  • Understanding the structural and electronic properties of energetic materials is crucial for their safe handling and application.
  • The presence of multiple nitro groups in organic molecules can lead to complex electronic interactions and unique crystal packing.

Purpose of the Study:

  • To elucidate the molecular geometry and crystal structure of the title compound, C(3)H(5)N(5)O(4).
  • To investigate the electronic conjugation and intermolecular interactions within the crystal lattice.

Main Methods:

  • Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
  • Analysis of bond lengths, bond angles, and intermolecular interactions was performed.

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Main Results:

  • The molecule C(3)H(5)N(5)O(4) exhibits a planar geometry in the crystal state.
  • Distinct C--N bond lengths were observed due to the influence of two nitro groups, yet conjugation extends across the nitrimine and nitramine moieties.
  • Intermolecular N--H...O hydrogen bonds were identified, leading to the formation of molecular dimers.

Conclusions:

  • The planar structure and extended conjugation in C(3)H(5)N(5)O(4) suggest specific electronic properties.
  • The observed dimerization via hydrogen bonding influences the packing and stability of the compound in the solid state.