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Crystal Structure of Medicinal Product Triazavirin
Journal of Chemical Crystallography ( IF 0.8 ) Pub Date : 2018-11-01 , DOI: 10.1007/s10870-018-0750-2
E. K. Voinkov , R. A. Drokin , E. N. Ulomskiy , P. A. Slepukhin , V. L. Rusinov , O. N. Chupakhin

The X-ray data of 2-methylsulfanyl-6-nitro-1,2,4-triazolo [5,1-c][1,2,4]triazin-7-one sodium salt dihydrate (triazavirin) is reported. The compound crystallizes in the form binuclear complex шт triclinic space group P-1 with unit cell parameters: a = 7.2616 (6) Å, b = 9.3036 (5) Å, c = 9.5237 (7) Å, α = 110.968 (6), β = 92.600 (6)°, γ = 102.990 (6)° and Z = 1.Graphical AbstractInteraction of 3-(methylsulfanyl)-1H-1,2,4-triazole-5-diazonium hydrochloride with ethyl nitroacetate in sodium carbonate solution resulted in the formation of centrosymmetric binuclear complex of 2-methylsulfanyl-6-nitro-1,2,4-triazolo[5,1-c][1,2,4]triazin-7-one sodium salt dihydrate (triazavirin), which was structurally characterized.

中文翻译:

药品三氮唑韦林的晶体结构

报道了 2-methylsulfanyl-6-nitro-1,2,4-triazolo [5,1-c][1,2,4]triazin-7-one 钠盐二水合物 (triazavirin) 的 X 射线数据。该化合物以双核络合物 шт 三斜空间群 P-1 的形式结晶,晶胞参数:a = 7.2616 (6) Å, b = 9.3036 (5) Å, c = 9.5237 (7) Å, α = 110.968 (6) , β = 92.600 (6)°, γ = 102.990 (6)° and Z = 1.Graphical AbstractInteraction of 3-(methylsulfanyl)-1H-1,2,4-triazole-5-diazonium hydrochloride 与硝基乙酸乙酯在碳酸钠中的相互作用溶液导致形成 2-methylsulfanyl-6-nitro-1,2,4-triazolo[5,1-c][1,2,4]triazin-7-one 钠盐二水合物(triazavirin)的中心对称双核复合物,这是结构特征。
更新日期:2018-11-01
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