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合成了标题Ｓｃｈｉｆｆ碱并获得了其单晶，化学式为Ｃ７Ｈ８Ｎ４ＯＳ，Ｍｒ＝ １９６．２３，经Ｘ射线单晶衍射分析，该晶体属于单斜晶系，空间群为Ｃ２／ｃ，晶胞参数： ａ＝ １３．１９８（２），ｂ＝ ８．０７０（１），ｃ＝ １６．９９９（２），β＝ １０２．７６０（１０）°，Ｖ＝ １７６５．８（４）３，Ｚ＝ ８，Ｄｃ＝１．４７６ｇ／ｃｍ ３，μ＝ ０．３３０ｍ ｍ － １，Ｆ（０００）＝ ８１６，在２．４６°＜ θ＜ ２９．００°范围内以ω扫描方式收得独立衍射点２３４７ 个，其中Ｉ＞ ２σ（Ｉ）的可观测点为１６８７ 个。最终偏离因子Ｒ＝０．０３４４，ｗ Ｒ＝ ０．０８４３，（Δ／σ）ｍ ａｘ＝ ０．００１，Ｓ＝ １．０８２。分子为平面构型。与相应配合物的晶体结构进行了比较并讨论了配位前后标题化合物主要的键性质的变化。
The title Schiff base was synthesized and its single crystal was obtained. The chemical formula was C7H8N4OS, Mr = 196.23. The crystal belongs to the monoclinic system with space group C2 / c by X-ray single crystal diffraction. The unit cell parameters are: a = 13.198 (2) b = 8.070 (1) c = 16.999 (2) β β = 102.760 (10) ° V = 1765.8 43 Z = 8, Dc = 1.476 g / cm 3, μ = 0.330 m m -1, F (000) = 816, and obtained independent diffraction spots in the ω scan within the range of 2.46 ° <θ <29.00 ° 2347, where I> 2σ (I) has 1687 observable points. The final deviation factor R = 0.0344, wR = 0.0843, (A / σ) m ax = 0.001, S = 1.082. Molecular plane configuration. The crystal structures of the corresponding complexes were compared and the main bond properties of the title compounds before and after coordination were discussed.