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Synthesis and Crystal Structure of 2,2′,5,5′-Tetrachloro-1,1′-azo-1,3,4-triazole
Author(s): 
Pages: 7-10
Year: Issue:  1
Journal: Chinese Journal of Energetic Materials

Keyword:  organic chemistynitrogen-rich compound22′55′-tetrachloro-11′-azo-134-triazolesynthesiscrystal structure;
Abstract: 2,2′,5,5′-tetrachloro-1,1′-azo-1,3,4-triazole (1) was synthesized by reaction of 4-amino-1,2,4-triazole and sodium dichloroisocyanurate(SDCI). Its structure was determined by X-ray single crystal diffraction. It crystallizes in the triclinicspace group P-1, with a=6.2824(13)(A), b=7.7173(15)(A), c=10.443(2)(A), α=89.16(3)°, β=88.20(3)°, γ=89.10(3)°, V=505.94(18)(A)3, Z=2, Mr=301.92, DC=1.982 mg·m-3, F(000)=296 and μ(MoKα)=1.152 mm-1, the final R=0.0498 and wR=0.1139. X-ray analysis reveals that a stronger π interaction of the triazole units with the tetrazene moiety.
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