Acta Crystallographica Section C

Crystal Structure Communications

Volume 59, Part 7 (July 2003)

organic compounds

bm1529 scheme

Acta Cryst. (2003). C59, o383-o387 [ doi:10.1107/S0108270103009521 ]

Four 3-cyanodifurazanyl ethers: potential propellants

B. B. Averkiev, M. Yu. Antipin, A. B. Sheremetev and T. V. Timofeeva

Abstract: In earlier papers, we described the synthesis and structures of bis(3-nitrofurazan-4-yl) ether, C₄N₆O₇, (I), bis[3-(nitro-N,N,O-azoxy)furazan-4-yl] ether, C₄N₁₀O₉, (II), and bis[3-(5H-[1,2,3]triazolo[4,5-c]furazan-5-yl)furazan-4-yl] ether, C₈N₁₄O₅, (III). Here we compare the structures of (I)-(III) with those of four 3-cyanodifurazanyl ethers, namely bis(3-cyanofurazan-4-yl) ether, C₆N₆O₃, (IV), 3-cyanofurazanyl 3-nitrofurazanyl ether, C₅N₆O₅, (V), 3,4-bis(3-cyanofurazan-4-yloxy)furazan, C₈N₈O₅, (VI), and bis[3-(3-cyanofurazan-4-yloxy)furazan-4-yl]diazene, C₁₀N₁₂O₆, (VII). It was found that the geometric parameters of the difurazanyl ether fragments are similar in these structures and therefore not influenced by substituent effects; however, the conformation of this fragment is different, viz. structures (I), (III), (V) and (VI) have approximate C₂ symmetry, and structures (II), (IV) and (VII) have C_s symmetry. Dense crystal packing (1.626-1.898 Mg m^-3) is characteristic for all these hydrogen-free compounds. A linear correlation is also determined between crystal density and `molecular density' (M/V), where M is the mass of a molecule and V is the molecular volume.

Formula: C₆N₆O₃, C₅N₆O₅, C₈N₈O₅ and C₁₀N₁₂O₆


	Structure factor file (CIF format) (72.6 kbytes) Contains datablock IV

	Structure factor file (CIF format) (70.7 kbytes) Contains datablock V

	Structure factor file (CIF format) (72.5 kbytes) Contains datablock VI

	Structure factor file (CIF format) (65.6 kbytes) Contains datablock VII

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