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

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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) , α = 108.220(8), β = 99.482(4), γ = 95.490(4)°, V = 1516.7(10) 3, Z = 2, Dc = 1.504 g/cm3, 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. crystallizes in triclinic system, space group P1 with a = 10.346 (4), b = 12.210 (5), c = 12.976 (8) β = 99.482 (4) γ = 95.490 (4) ° V = 1516.7 (10) 3 Z = 2 Dc = 1.504 g / cm3 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.
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