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

Synthesis and Crystal Structure of 1,2-Bis-(p-nitrophenylsulfonamido)-4,5-dinitrobenzene
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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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 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)
关键词 sulfonylamide anion recognition recognition compound deprotonation crystal structure sulfonylamide, anion recognition, recognition compound,deprotonation, crystal structure
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