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

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Structure factor file (CIF format) (72.6 kbytes)
[ doi:10.1107/S0108270103009521/bm1529IVsup2.hkl ]
Contains datablock IV

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Structure factor file (CIF format) (70.7 kbytes)
[ doi:10.1107/S0108270103009521/bm1529Vsup3.hkl ]
Contains datablock V

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Structure factor file (CIF format) (72.5 kbytes)
[ doi:10.1107/S0108270103009521/bm1529VIsup4.hkl ]
Contains datablock VI

hkldisplay filedownload file

Structure factor file (CIF format) (65.6 kbytes)
[ doi:10.1107/S0108270103009521/bm1529VIIsup5.hkl ]
Contains datablock VII


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