Molecular Structure of Bis (2,2-Dinitropropyl)-Nitramine (BDNPN): Possible RDX Replacement.
ARMY ARMAMENT RESEARCH DEVELOPMENT AND ENGINEERING CENTER PICATINNY ARSENAL N J
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An x-ray diffraction single-crystal structure determination of Bis2, 2-dinitropropyl-nitramine BDNPN was carried out. Bis2, 2-dinitropropyl-nitramine has the molecular formula C6H10N6O10 and a density of 1.78 gcc. It crystallizes with two formula weights in the C-centered monoclinic space group C2 no. 5 with unit cell parameters a 10.7264 A, b 5.9923 A, c 10.4004 A, and beta 110.013 deg. The positions of the atoms were determined with both direct methods and difference Fourier techniques. The structure was refined to a final R value of 0.036. The crystal structure consists of BDNPN molecules oriented along the c axis at 000 and 220. The crystal is held together by van der Waals forces between each molecule and its six nearest-neighbors. The molecule is composed of two gem-dinitropropyl groups bonded to a central nitramine group. A comparison of the thermochemical data of BDNPN, cyclotrimethylenetrinitramine RDX, and 1, 3, 3-trinitroazetidine TNAZ reveals that BDNPN has the highest Impetus and lowest flame temperature within this group of molecules.
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