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Synthesis and Crystal Structure of 1-(N,N-Di-(p-toluenesulfonyl))-amino-2-(N'-p-toluenesulfonyl)-amino-3,5-dinitrobenzene

Synthesis and Crystal Structure of 1-(N,N-Di-(p-toluenesulfonyl))-amino-2-(N'-p-toluenesulfonyl)-amino-3,5-dinitrobenzene
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摘要 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 Pna21 with a = 13.723(2), b = 25.354(4), c = 8.6565(12) A, V= 3011.9(8) A^3, Z = 4, Mr = 660.68, F(000) = 1368, Dc = 1.457 g/cm^3, μ = 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. 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 Pna21 with a = 13.723(2), b = 25.354(4), c = 8.6565(12) A, V= 3011.9(8) A^3, Z = 4, Mr = 660.68, F(000) = 1368, Dc = 1.457 g/cm^3, μ = 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.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2007年第3期309-313,共5页 结构化学(英文)
基金 the National Natural Science Foundation of China (No. 20371028) Natural Science Foundation of Tianjin (No. 023605811)
关键词 sulfonylamide anion recognition RECEPTOR crystal structure sulfonylamide, anion recognition, receptor, crystal structure
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