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>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
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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
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机译：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
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.1crystallized 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),2crystallized 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)°, while3crystallized 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. For2and3there were considerable distortions of the nitramine moiety from planarity in contrast to1where the nitramine moiety was almost exactly planar. The bond distances and angles for the nitramine group in1indicates a substantial introduction of double bond character into the N−N bond in1, achieved by delocalization of the amine π lone pair, co
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