The crystal structure of a novel high-energy density material 3,3′-(E)diazene-1,2-diylbis{4-[(3,4-dinitro-1H-pyrazol-1-yl)-NNO-azoxy]-1,2,5-oxadiazole} (C10H2N18O12) was determined and refined using laboratory powder diffraction data. The title compound crystallizes in space group P21/c with a = 9.5089(3) Å, b = 11.6331(4) Å, c = 10.6270(3) Å, β = 116.2370(12), V = 1054.43(6) Å3. The asymmetric unit contains half of the molecule. The molecular conformation contains a weak intramolecular hydrogen bond C–H⋯O–N, both nitro groups are disordered, and the structure is dominated by weak O⋯π and O⋯O contacts.

中文翻译：

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3,3'-(E)-diazene-1,2-diylbis{4-[(3,4-dinitro-1H-pyrazol-1-yl)-NNO-azoxy]-1,2,5- 的晶体结构恶二唑}

新型高能量密度材料 3,3'-(E)diazene-1,2-diylbis{4-[(3,4-dinitro-1H-pyrazol-1-yl)-NNO-azoxy] 的晶体结构-1,2,5-恶二唑} (C10H2ñ18○12) 是使用实验室粉末衍射数据确定和改进的。标题化合物在空间群中结晶磷21/C和一种= 9.5089(3) 埃，b= 11.6331(4) 埃，C= 10.6270(3) 埃，β= 116.2370(12),五= 1054.43(6) Å3. 不对称单元包含一半的分子。分子构象中含有一个弱分子内氢键C-H⋯O-N，两个硝基都是无序的，结构以弱O⋯π和O⋯O接触为主。