W0212

The Structural Investigation of High Energetic Materials: Difurazanyl Ethers. Boris B. Averkiev^a, Tatiana V. Timofeeva^a, Aleksey B. Sheremetev^b, Mikhail Yu. Antipin^a,c, ^aDept. of Natural Science, New Mexico Highlands Univ., Las Vegas, NM 87701, USA, ^bN.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 47 Leninsky Prosp., 119991, Moscow, Russia, ^cInstitute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov St., B-334, 117813, Moscow, Russia.

Furazan derivatives are high energetic materials, which are often characterized by dense crystal packing. The crystal structures of several difurazanyl ether derivatives have been investigated. Due to the similar nature of substituents the geometry of furazan rings in these molecules is almost identical. However the conformation of this fragment is different; some structures posses approximate C₂ symmetry, while the others have approximate C_s symmetry. We found linear dependence of crystal density versus “molecular density” (M/V), where M is mass of a molecule and V is molecular volume. The deviations from liner dependence are resulting from different crystal packing characteristics. We analyzed crystal structure of compound with “positive” deviation of crystal density. Analysis of the reasons of high packing coefficient for this compound will help us to construct crystals with higher density