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AGNTO的制备和分子结构

         

摘要

AGNTO was prepared by mixing amino-carbamidine bicarbonate and 3-nitro-1,2,4-triazol-5-one. The product was characterized by element analysis and IR measurement. The crystal structure of AGNTO was determined by single crystal diffraction analysis. The crystal belongs to monoclinic space group P21/n. Crystallographic data are:a=0.67870(10)nm, b=2.7915(4)nm, c=1.2739(2)nm; β =96.930(10)° , V=2.3959(6)nm3, Z=12, Dc=1.698 g· cm- 3, μ (Mo Kα )=1.47 cm- 1, F(000)=1272, R=0.0352, wR=0.0718. This salt would be a very promising energetic material, and it might be used as new gas generate agent.%通过 3硝基 1, 2, 4三唑 5酮( NTO)与氨基胍重碳酸盐反应制备 NTO氨基胍盐,并用 X射线衍射、元素分析、红外光谱对其进行了表征 .晶体属于单斜晶系,空间群为 P21/n.晶体学参数为: a=0.67870(10)nm, b=2.7915(4)nm, c=1.2739(2)nm;β =96.930(10)°, V=2.3959(6)nm3, Z=12, Dc=1.698 g· cm - 3,μ ( Mo Kα )=1.47 cm - 1, F(000)=1272.晶体结构经全矩阵最小二乘法修正,最终偏离因子 R=0.0352, wR =0.0718.该盐是一种具有广泛应用前景的产气剂材料 .

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