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  • 11
    Electronic Resource
    Electronic Resource
    5,5-Dihydroxy-1,3-dipropionyl-1,3-diazacyclohexane (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. o1183-o1184 
    Details
    ISSN: 1600-5368
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: In the title compound, C10H18N2O4, the diazacyclohexane ring is in a normal chair conformation. The molecule packs to form hydrogen-bonded dimers around a center of symmetry.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S1600536801019006
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  • 12
    Electronic Resource
    Electronic Resource
    3,7-Di-tert-butyl-1,5-dinitro-3,7-diazabicyclo[3.3.1]nonane (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. o1128-o1129 
    Details
    ISSN: 1600-5368
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The conformation of the title compound, C15H28N4O4, was determined. The tricyclic nine-membered ring has a boat-shaped azacyclohexane ring on one side of the bridge and a chair-shaped ring on the other side.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S1600536801018153
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  • 13
    Electronic Resource
    Electronic Resource
    1,5-Di-tert-butyl-3-hydroxy-7-methylene-1-azonia-5-azacyclooctane iodide (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. o1147-o1148 
    Details
    ISSN: 1600-5368
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: This paper reports the solid-state structure of the title compound, C15H31IN2O. The molecule has a non-crystallographic mirror plane that accommodates all atoms except the hydroxyl-H and the H atom on the positively charged N atom.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S1600536801018190
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  • 14
    Electronic Resource
    Electronic Resource
    6,8-Dinitro-2,4-dioxa-6,8-diazabicyclo[3.3.0]octan-3-one (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. o891-o892 
    Details
    ISSN: 1600-5368
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The title compound, C4H4N4O7, is a bicyclic carbonate ester of 1,3-dinitroimidazolidine-4,5-diol. It contains only C, H, N, and O, and has a remarkably high density of 1.953 Mg m−3, one of the top 12 densities in the CHNO realm. Such high densities are usually only observed in strained polycyclic ring compounds such as the nitrocubanes and hexanitrohexaazaisowurtzitane.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S1600536801013915
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  • 15
    Electronic Resource
    Electronic Resource
    2,6-Diamino-3,5-dinitro-1,4-pyrazine dimethyl sulfoxide solvate (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. o757-o759 
    Details
    ISSN: 1600-5368
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The title compound, C4H4N6O4·C2H6OS, crystallizes in the triclinic space group P\overline 1. It is a dimethyl sulfoxide (DMSO) solvate of the insensitive energetic compound 2,6-diamino-3,5-dinitro-1,4-pyrazine (ANPZ). The structure has been determined to obtain more accurate metrical parameters for the 2,6-diamino-3,5-dinitro-1,4-pyrazine moiety than those obtained from unsolvated crystals which are invariably twinned. The packing motif consists of two formula units linked by strong complementary hydrogen bonds between the ANPZ units with the two DMSO solvate molecules each linked by two bifurcated hydogen bonds to the two ANPZ units. This central motif is further linked into planar sheets by weaker interactions between the DMSO methyl H atoms and the O atoms from the nitro groups. This looser packing arrangement compared to ANPZ is reflected in a lower density (1.662 Mg m−3 versus 1.812 Mg m−3 for ANPZ).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S1600536801011722
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  • 16
    Electronic Resource
    Electronic Resource
    2,5-Dinitro-7,9-dioxa-2,5-diazabicyclo[4.3.0]nonan-8-one (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. o913-o915 
    Details
    ISSN: 1600-5368
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The title compound, C5H6N4O7, is a cyclic carbonate ester of 1,4-piperazine-2,3-diol. It contains only C, H, N, and O atoms, and has a high density of 1.828 Mg m−3.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S1600536801014131
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  • 17
    Electronic Resource
    Electronic Resource
    2,6-Diamino-3,5-dinitropyrazine (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. o738-o740 
    Details
    ISSN: 1600-5368
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The title compound, C4H4N6O4, crystallizes in the monoclinic space group P21/c, and is an energetic compound containing only C, H, N and O atoms, with a density of 1.812 Mg m−3. Thus, it is a very stable diaza analog of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). Like TATB, it packs in planar graphite-like layers in the ab plane, with molecules held together by intermolecular hydrogen bonding. Both compounds decompose at temperatures above 573 K and are insoluble in most common solvents. Crystals of the title compound are usually twinned (twins related by a 180° rotation about a*) and the crystal analyzed had a minor twin component.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S1600536801011734
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  • 18
    Electronic Resource
    Electronic Resource
    1,5-Diacetyl-7,7-dinitro-1,5-diazacyclooctan-3-one ethylene acetal (2001)
    Copenhagen : International Union of Crystallography (IUCr)
    Acta crystallographica 57 (2001), S. o1185-o1186 
    Details
    ISSN: 1600-5368
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The solid state structure of the title compound, C12H18N4O8, has been determined. There are two molecules in the asymmetric unit that differ in the conformations of their eight-membered heterocyclic rings and in the orientations of the nitro groups.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S1600536801019018
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  • 19
    Electronic Resource
    Electronic Resource
    Distortions in nitramine substituted cubanes: The structures of N,N′-dinitro-1,4-diaminocubane, N,N′-dinitro-N,N′-(2-pyridyl)-1,4-diaminocubane, and 1,2,4,7-tetrakis(N-methoxycarbonylnitramino)cubane (1996)
    Springer
    Journal of chemical crystallography 26 (1996), S. 381-388 
    Details
    ISSN: 1572-8854
    Keywords: Nitramine structures ; cubane structures ; nitramine substituted cubanes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of three nitramine substituted cubane molecules, N,N′-dinitro-1,4-diaminocubane (1), N,N′-dinitro-N,N′-(2-pyridyl)-1,4-diaminocubane (2), and 1,2,4,7-Tetrakis(N-methoxycarbonylnitramino)-cubane (3), have been determined.1 crystallized in the space group P21/a with cell dimensionsa=6.545(1),b=9.331(1),c=7.459(1) Å, β=105.80(1),2 crystallized in the monoclinic space group P21/a with cell dimensionsa=7.545(2),b=8.697(3),c=12.406(4 Å, β=96.28(3)°, while3 crystallized in the monoclinic space group P21/c with cell dimensionsa=10.866(3),b=6.866(2),c=16.167(6) Å, β=108.79(3)°. The metrical parameters of the cubane skeleton showed no significant deviations from those found in other similarly substituted cubane molecules. For2 and3 there were considerable distortions of the nitramine moiety from planarity in contrast to1 where the nitramine moiety was almost exactly planar. The bond distances and angles for the nitramine group in1 indicates a substantial introduction of double bond character into the N−N bond in1, achieved by delocalization of the amine π lone pair, compared with2 and3.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665815
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  • 20
    Electronic Resource
    Electronic Resource
    The crystal and molecular structures of highly substituted cubanes: 1,2,4,7-tetra(carboxymethyl)cubane and 1,2,3,5,7-penta(carboxymethyl)cubane (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 661-670 
    Details
    ISSN: 1572-8854
    Keywords: Tetrasubstituted cubane derivatives ; pentasubstituted cubane derivatives ; 1,2-disubstituted cubane structures ; cubane structures
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of the title compounds, 1,2,4,7-tetra(carboxymethyl)cubane 1 and 1,2,3,5,7-penta(carboxymethyl)cubane2, have been determined.1 crystallized in the space group $$P\bar 1$$ with cell dimensionsa=6.098(2),b=10.686(2),c=13.459(2) Å, α=69.82(1), β=77.01(1), γ=74.00(1)°, while2 crystallized in the monoclinic space group P21/c with cell dimensionsa=15.139(2),b=12.775(1),c=9.849(2) Å, β=107.01(1)°. These molecules were derived from their parent carboxylic acids by esterification with methanol. They are unusual for several reasons. The first is that they both contain substituents on adjacent carbon atoms in the cubane framework. There are only a few reports in the literature of this type of cubane structure. The second molecule is unique in that it has five substituents attached to a cubane moiety. This is the one of the few cubane derivatives with more than four substituents to be structurally characterized and results in a cubane molecule in which there are three faces with three substituents and three faces with only two substituents.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665973
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