Synthesis and Crystal Structure of 1,2-Bis-(p-nitrophenylsulfonamido)-4,5-dinitrobenzene  

作　　者：陈华梅 王月红 林海 林华宽 

机构地区：[1]Department of Chemistry, Nankai University [2]Key Laboratory of Functional Polymer Materials of Ministry of Education, Nankai University

出　　处：《Chinese Journal of Structural Chemistry》2007年第9期1027-1032,共6页结构化学（英文）

基　　金：This work was supported by the National Natural Science Foundation of China (No. 20371028, 20671052);the Natural Science Foundation of Tianjin (No. 023605811)

摘　　要：The title compound, 1,2-bis-（p-nitro-phenylsulfonamido）-4,5-dinitrobenzene, was synthesized and characterized by elemental analysis, IR and 1H NMR. A pale yellow prism crystal of C23H26N8O13S2 （Mr = 686.64） was obtained in DMF solution and determined by single-crystal X-ray diffraction method. It crystallizes in triclinic system, space group P1 with a = 10.346（4）, b = 12.210（5）, c = 12.976（5）A , α = 108.220（8）, β = 99.482（4）, γ = 95.490（4）°, V = 1516.7（10） A^3, Z = 2, Dc = 1.504 g/cm^3, F（000） = 712, μ = 0.254, Mr = 686.64, the final R = 0.0561 and wR = 0.1487. One sulfonamido group of the title compound is deprotoned and forms N（3）=C（13）. The crystal involves N,N-dimethylamine from the decomposition of DMF and the proton is transferred to N,N- dimethylamine. It is a strong proof for the characterization of deprotoned recognition compound by X-ray single-crystal structure.The title compound, 1,2-bis-（p-nitro-phenylsulfonamido）-4,5-dinitrobenzene, was synthesized and characterized by elemental analysis, IR and 1H NMR. A pale yellow prism crystal of C23H26N8O13S2 （Mr = 686.64） was obtained in DMF solution and determined by single-crystal X-ray diffraction method. It crystallizes in triclinic system, space group P1 with a = 10.346（4）, b = 12.210（5）, c = 12.976（5）A , α = 108.220（8）, β = 99.482（4）, γ = 95.490（4）°, V = 1516.7（10） A^3, Z = 2, Dc = 1.504 g/cm^3, F（000） = 712, μ = 0.254, Mr = 686.64, the final R = 0.0561 and wR = 0.1487. One sulfonamido group of the title compound is deprotoned and forms N（3）=C（13）. The crystal involves N,N-dimethylamine from the decomposition of DMF and the proton is transferred to N,N- dimethylamine. It is a strong proof for the characterization of deprotoned recognition compound by X-ray single-crystal structure.

关 键 词：sulfonylamide anion recognition recognition compound deprotonation crystal structure 

分 类 号：O76[理学—晶体学] O621.1