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Article
The structure of nitrocubane: the last in the series of nitrocubanes
The structure of nitrocubane, C8H7NO2, 1, reported herein, is the last to be reported in a series of nitrocubanes, ranging from mono- to octanitrocubane. Compound 1 crystallizes in the orthorhombic space group Pn...
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Article
A new class of flexible energetic salts. Part 7: The structures of the guanidinium and hydroxyguanidinium salts of dinitramide
The crystal structures of two amine base salts of dinitramide, the guanidinium 1, and the hydroxyguanidinium 2, have been determined. 1 crystallizes in the triclinic space group
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Article
Structures of dinitroazetidine and three of its carbonyl derivatives
The structures of DNAZ (3,3-dinitroazetidine), DNAZ-COH, DNAZ-CO-DNAZ, and (DNAZ-CO)2 have been determined. DNAZ crystallizes in the space group P21/c with cell parameters a = 5.928(7) Å, b = 15.8380(2) Å, c = 12...
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Article
A new class of flexible energetic salts, part 6: the structures of the hydrazinium and hydroxylammonium salts of dinitramide
The crystal structures of two amine base salts, the hydrazinium, 1, and the hydroxylammonium, 2, of dinitramide have been determined. 1 crystallizes in the monoclinic space group P 21/c with cell dimensions a = 8...
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Article
Structures and molecular surface electrostatic potentials of high-density C, N, H systems
Tri-s-triazine and two ditetrazolodiazines are known to have unusually high crystal densities (for unsubstituted C, N, H compounds). We have used a nonlocal density functional procedure to compute the geometries ...
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Article
ANTA and its Oxidation Products
5-Amino-3-nitro-1H-1,2,4-triazole (ANTA) is a molecule with high stability. Aside from being an insensitive high explosive (IHE), it is also used as a synthon for other potential new IHEs. The crystal structur...
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Article
The Molecular & Crystal Structures of Polycyclic Energetic Materials
Even before the ‘Buckey-ball’ (or fullerene) era, organic chemists were interested in, and attracted to, the synthesis of compounds containing many rings fused together - especially the symmetric ones. By virt...
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Article
NTO Polymorphs
NTO is an explosive of current interest. It has been evaluated as an insensitive component to replace RDX in the bomb fill, and as a major ingredient for the auto air bag system. The crystal structure of the β...
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Article
Iron(III) complexes of some thiosemicarbazones derived from 2-acetylpyridine, its 6-methyl derivative and itsN-oxide
A series of iron(III) complexes of thiosemicarbazones derived from 2-acetylpyridine, 6-methyl-2-acetylpyridine and 2-acetylpyridineN-oxide have been prepared from Fe(ClO4)3 and FeCl3. All of the isolated solids h...