Synthesis and crystal structure of 1,2-bis-(p-nitrophenylsulfonamido)-4,5-dinitrobenzene

The title compound, 1,2-bis-(p-nitro-phenylsulfonamido)-4,5-dinitrobenzene, was synthesized and characterized by elemental analysis, IR and H-1 NMR. A pale yellow prism crystal of C23H26N8O13S2 (M-r = 686.64) was obtained in DMF solution and determined by single-crystal X-ray diffraction method. It crystallizes in triclinic system, space group P ((1)) over bar with a = 10.346(4), b = 12.210(5), c = 12.976(5) angstrom, alpha = 108.220(8), beta = 99.482(4), gamma = 95.490(4)degrees, V = 1516.7(10) angstrom(3), Z= 2, D-c = 1.504 g/cm(3), F(000) = 712, mu = 0.254, M-r = 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.