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 Cs 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


hkldisplay filedownload file

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


hkldisplay filedownload file

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


hkldisplay filedownload file

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


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


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