1,1-diamino-2,2-dinitroethylene:: a novel energetic material with infinite layers in two dimensions

1,1-diamino-2,2-dinitroethylene:: a novel energetic material with infinite layers in two dimensions
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DOI:
10.1107/s0108270198007987
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发表时间:
1998-12-15
期刊:
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
影响因子:
--
通讯作者:
Östmark, H
Östmark, H
中科院分区:
其他
文献类型:
--
作者:
Bemm, U;Östmark, H

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The title compound (C2H4N4O4) is a novel and interesting high explosive with high performance and low sensitivity. Single-crystal X-ray diffraction studies of the compound show that the molecules in the crystal structure have bond lengths and bond angles as expected for this type of push-pull ethylene. There are two intramolecular hydrogen bonds present between the nitro-O atoms and the amino-H atoms. The geometry of the molecule indicates that there is extensive ii conjugation present. The molecular packing is built up by infinite two-dimensional wave-shaped layers, with extensive intermolecular hydrogen bonding within the layers and ordinary van der Waals interactions between the layers. The crystal packing explains some of the physico-chemical properties of the compound, such as the absence of a melting point, its low solubility, and its low sensitivity to friction and impact compared with the common high explosive RDX (1,3,5-triaza-1,3,5-trinitrocyclohexane).