Synthesis and crystal structure of 1-(N,N-di-(p-toluenesulfonyl))-amino-2-(N′-p-toluenesulfonyl)-amino-3,5-dinitrobenzene

The title compound, 1-(N,N-di-(p-toluenesulfonyl))-amino-2-(N'-p-toluenesulfonyl)-amino.-3,5-dinitrobenzene, was synthesized and structurally determined by single-crystal X-ray diffraction method. It crystallizes in orthorhombic, space group Pna2(1) with a = 13.723(2), b = 25.354(4), c = 8.6565(12) angstrom, V = 3011.9(8) angstrom(3), Z = 4, M-r = 660.68, F(000) = 1368, D-c = 1.457 g/cm(3), mu = 0.309, the final R = 0.0609 and wR = 0.1042. The H atom of N2-H group, which is the unique recognition site to anion, is enveloped by two oxygen atoms and one benzene from two and one p-toluenesulfonyl moieties, respectively.