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Synthesis and Crystal Structure of N-Ferrocenesulfonyl Hexahydropyridine

Synthesis and Crystal Structure of N-Ferrocenesulfonyl Hexahydropyridine
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摘要 The title compound (C15H19FeNO2S, Mr = 333.22) was synthesized by the reaction of ferrocenesulfonyl chloride with hexahydropyridine, and characterized by ^1H NMR, IR and elemental analysis. The crystal belongs to monoclinic, space group P21/n with a = 6.0472(5), b = 20.4897(6), c = 11.6584(8)A°,β = 91.3120(10)°, V = 1444.16(16) A°^3, Z = 4, Dc= 1.533 g/cm^3, F(000) = 696,μ = 1.188 mm^-1, the final R = 0.0309 and wR = 0.0736 for 2057 observed reflection with I 〉 2σ(I). The structure analysis demonstrates that two cyclopentadienyl rings are almost parallel with a dihedral angle of 1.70°, and hexahydropyridine moiety exists in a chair conformation. Bioassay indicates that the title compound has a good fungicidal activity. The title compound (C15H19FeNO2S, Mr = 333.22) was synthesized by the reaction of ferrocenesulfonyl chloride with hexahydropyridine, and characterized by ^1H NMR, IR and elemental analysis. The crystal belongs to monoclinic, space group P21/n with a = 6.0472(5), b = 20.4897(6), c = 11.6584(8)A°,β = 91.3120(10)°, V = 1444.16(16) A°^3, Z = 4, Dc= 1.533 g/cm^3, F(000) = 696,μ = 1.188 mm^-1, the final R = 0.0309 and wR = 0.0736 for 2057 observed reflection with I 〉 2σ(I). The structure analysis demonstrates that two cyclopentadienyl rings are almost parallel with a dihedral angle of 1.70°, and hexahydropyridine moiety exists in a chair conformation. Bioassay indicates that the title compound has a good fungicidal activity.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第3期257-260,共4页 结构化学(英文)
关键词 ferrocenesuifonamides SYNTHESIS crystal structure fungicidal activity ferrocenesuifonamides, synthesis, crystal structure, fungicidal activity
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