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制备了赝式包合物 [(n C4 H9) 4 N+ ]2 C4 H2 O2 - 4·2CO(NH2 ) 2 ·2H2 O并用X射线单晶衍射法测定了晶体结构 .晶体属单斜晶系 ,P2 1/c空间群 ,a =0 .92 38(6 ) ,b =1 732 3(8) ,c =1 5 336(8)nm ,β =10 4 2 5 (4)° ,V =2 3787(9)nm3 ,Z =2 ,Mr=75 5 13,Dc=1 0 5 4 g·cm- 3 ,μ(MoKα) =0 0 6 6mm- 1,F(0 0 0 ) =84 0 ,对 375 9个 (|F| 2 ≥ 2 0σ|F| 2 )可观测衍射点的最终偏离因子R1=0 0 6 7,Rw=0 0 6 9,S =1 11.晶体中 ,富马酸根两端的羧基分别与一个尿素分子以一对氢键相连接 ,形成一个 [富马酸根 (尿素 ) 2 ]三聚体 .这些三聚体以相互错开的形式沿a轴方向顺序排列 ,由于相邻三聚体间的N—H…O氢键以及水分子的桥连作用 ,形成了尿素 富马酸根 水分子宽纽带 .相互独立的正 四丁基铵阳离子顺序排列 ,形成沿 [10 0 ]方向延伸的直列客体柱 ,夹在宽纽带间形成赝式包合物 .
The crystal structure of the crystal was determined by X-ray single crystal diffraction method.The crystal was monoclinic, A = 0 .92 38 (6), b = 1 732 3 (8), c = 1 5 336 (8) nm, β = 10 4 2 5 (4) °, V = 2 3787 (9) nm3, Z = 2, Mr = 75 5 13, Dc = 1054 g · cm -3, μ (MoKα) = 0 0 6 6mm- 1, F (0 0 0) = 84 0, The final deviation factor R1 = 0 0 6 7, Rw = 0 0 6 9, S = 1 for the 375 9 (| F | 2 ≥ 2 0σ | F | 2) observable diffraction points. In the crystal, the fumarate The carboxyl groups at both ends are linked to a urea molecule by a pair of hydrogen bonds, respectively, to form a [fumarate (urea) 2] trimer. The trimers are arranged in the a-axis direction in staggered relation to each other, N-H ... O hydrogen bonds between the trimers and bridging action of water molecules form a wide band of urea fumarate water molecules. The mutually independent n-tetrabutylammonium cations are arranged in sequence to form a [10 0] direction Of in-line object column, sandwiched between the wide band to form pseudo-inclusion complex.