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Crystal structure of N,N,N',N'-tetramethylethylenediammonium dinitrate

机译:N,N,N',N'-四甲基亚乙基二硝酸二铵的晶体结构

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N,N,N',N'-tetramethylethylenediammonium dinitrate has been synthesized. The crystal and molecular structure of the title compound has been determined from single crystal X-ray diffraction data. C6H_(18)N4O6, M =242.24, Triclinic, a = 6.040(2) A,b = 6.834(3) A, c = 7.867(2) A, α = 74.1120(10)°, β = 83.700(2)°, γ = 80.314(2)°, V = 307.12(19) A~3, T= 298(2) K, space group P-1 (no. 2), Z= 1, μ(Mo-Ka) = 0.115, 2383 reflections measured, 1342 unique (R_(lat) = 0.0169) which were used in all calculations. The final wR(F~2) was 0.1262 (all data). In the title compound, C6H_(18)N2~(2+)·2NO_(3-), both N atoms of the cationic moiety are protonated and linked via hydrogen bonds to two trigonal planar nitrate anions. Two types of classical hydrogen bonds are observed: N1-H...O1 and N1-H...O2. These bonds link the cations and the anions together, forming a one-dimensional network and reinforcing the cohesion of the ionic structure.
机译:合成了N,N,N',N'-四甲基乙烯二硝酸二铵。标题化合物的晶体和分子结构已由单晶X射线衍射数据确定。 C6H_(18)N4O6,M = 242.24,三斜晶系,a = 6.040(2)A,b = 6.834(3)A,c = 7.867(2)A,α= 74.1120(10)°,β= 83.700(2) °,γ= 80.314(2)°,V = 307.12(19)A〜3,T = 298(2)K,空间群P-1(编号2),Z = 1,μ(Mo-Ka)=在所有计算中均使用0.115、2383个反射,唯一1342个(R_(lat)= 0.0169)。最终的wR(F〜2)为0.1262(所有数据)。在标题化合物C6H_(18)N2〜(2+)·2NO_(3-)中,阳离子部分的两个N原子均质子化并通过氢键连接到两个三角形平面硝酸根阴离子上。观察到两种类型的经典氢键:N1-H ... O1和N1-H ... O2。这些键将阳离子和阴离子连接在一起,形成一维网络并增强离子结构的内聚力。

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