顺式-二(乙二胺)二硝基合钴(Ⅲ)苹果酸盐的晶体结构及手性识别

合成了标题化合物，并用X-射线衍射法确定了该分子的晶体结构。化合物Δ（λλ），Λ（δδ）－cis－[Co（en）2（NO2）2]2d，l-C4H4O5，Co2C12N12O13H22，Mr=657．94．晶体属单斜晶系，空间群为P21/c，晶胞参数：a=13．969（4），b=6.440（1），c＝14．408（4）A，β=94.37（1）°，V=1292．3A3，Z=2，Dc=1．69g／cm3，μ=105.833cm－1，F（000）=668.最终偏离因子R=0.066，Rw=0．085。结构分析表明晶体存在无序现象，其阴离子C4H4O52-有两种排列方式。R-构型和S-构型的几率各为50％，手性识别是通过Δ构型的阳离子与阴离子R-构型C原子上羟基氧形成氢键相互作用；Λ构型的阳离子与阴离子S-构型C原子上羟基氧形成氢键相互作用而实现的。

Structure and Recognition of ■, ■-cis-(Bisethylenediamine) dinitro Cobalt(Ⅱ) Malicate

The title compound has been synthesized and its structure was determined by X-ray diffraction methods with the cell parameters as follows: monoclinic, space group P21/c, a = 13. 969(4), b=6. 440(1), c=14. 0408(4) A, β=94. 37(10)°, V=1292. 3 A3, Z= 2. The structurewas solved by Patterson-Fourier syntheses methods and refined by full-matrix least-squares toconverge to R= 0. 066, Rw= 0. 085. In the complex, the two en ligands and two nitro ligandsare oriented around the Co atom. The CoN6 core differes significantly from octahedral geometrydue to the strain of compression of ethylenediamine. The malicate anion has a configuration disorder, the proportion of the R to S form is 50: 50. The point-to-point contace between en ligandsand malicate resulting from H-bonds formation may be the main factor for recognition.