N-（邻甲基苯基）二茂铁磺酰胺的制备、晶体结构及热分解研究

二茂铁磺酰氯与邻甲基苯胺反应合成了N-（邻甲基苯基）二茂铁磺酰胺，通过 元素分析、红外光谱和~1H NMR， ~（13）C NMR对产物结构进行了表征，并对晶体 结构进行了测定。结果表明该化合物为单斜晶系、空间群P2_l/c，晶胞参数a = 1. 0436(2) nm, b = 1.2377(3) nm, c = 1.2643(3) nm, β = 107.42(1)°, V = 1. 5581(6)°, Z = 4, D_c = 1.514 g/cm~3, μ = 1.106 mm~(-1), F(000) = 736, R_1 = 0.0470, wR_2 = 0.0580。采用Gaussian98W软件对此化合物的结构进行了 优化，得到理论结构模型，并与所测量的结构进行了比较。通过热分解实验研究了 该化合物的热稳定性。

Studies on Synthesis, Crystal Structure and Thermal Decomposition of N-(o-methylphenyl) ferrocenesulfonamide

N-(o-methylphenyl) ferrocenesulfonamide was synthesized by the reaction of ferrocenesulfonyl chloride with o-toluidine. The compound was characterized by elemental analysis. IR, and ~1H NMR, ~(13)C NMR. The crystal structure was determined by X-ray diffraction. The crystal belongs to monoclinic with space group P2_l/c, a = 1.0436(2) nm, b = 1. 2377(3) nm, c = 1.2643(3) nm, β = 107.42(1)°, Z = 4, V = 1.5581(6) nm~3, D_c = 1.514 g/cm~3, μ = 1.106 mm~(-1), F(000) = 736, R_1 = 0. 0470, wR_2 = 0.0580. The optimized structure was obtained by Gaussian 98W, and compared with experimental result. Thermal decomposition of the title compound has also been studied. The DSC, TG and DTG curves of the compound are given and interpreted.