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X-ray structural study of three derivatives of dinitropyrazine

Authors
Journal
Journal of Molecular Structure
0022-2860
Publisher
Elsevier
Publication Date
Volume
606
Identifiers
DOI: 10.1016/s0022-2860(01)00862-6
Keywords
  • Optimization
  • Energetic Materials
  • Anisotropic
  • Crystal Packing

Abstract

Abstract Three new dinitropyrazine compounds, namely 2,6-diamino-3,5-dinitropyrazine-1-oxide, C 4H 4N 6O 5 ( 1), and two of its related derivatives not having amino-groups in the ring, C 6H 6N 8O 8 ( 2) and K +[C 8H 3N 6O 5] −·H 2O ( 3) have been prepared, and their structures have been studied by the single crystal X-ray diffraction analysis. The calculated X-ray density for 1– 3 was found to be 1.922, 1.722 and 1.779 g/cm 3, respectively. The relatively high density for the compound 1 is explained by the formation of the system of intra- and intermolecular hydrogen bonds between planar molecules in the crystal.

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