单核铜配合物［CuII（HIPP）（pydc）（H2 O）］的合成和晶体结构

摘要

CuI (HIPP)(pydc)(H2 O)] was obtained by the reaction of the solvothermal synthe‐sis .The structure and chemical composition of the title complex were determined by elemental analysis and X‐ray diffraction analysis .The complex CuI (HIPP)(pydc)(H2 O) belongs to or‐thorhombic system ,with space group Pbca ,a= 0 6.63 93(18) nm ,b= 2 0.62 2(6) nm ,c=2 6.19 1(7) nm ,α=90° ,β=90° ,γ=90° ,V=3 5.85 9(17) nm3 ,Z=8 ,ρc =1 6.93 g ·cm -3 , F (000)=1 864 ,GOF=0 8.82 ,R1 =0 0.37 4 ,wR2 =0 1.11 8 [I > 2σ(I)] .Copper(II) atom is six‐coordinated by two carboxyl oxygen atoms ,a nitrogen atom of 2 ,6‐pyridinedicarboxylic acid ,a nitrogen atom and an oxygen atom of HIPP ,and an oxygen atom of a water molecule , forming an octahedral coordination geometry .The results show that intermolecular hydrogen bonds exist in crystal .%用溶剂热合成方法合成了一个单核铜配合物CuI （HIPP）（pydc）（H2 O），采用元素分析法和X射线单晶衍射法对该配合物的组成和结构进行了表征．配合物CuI （HIPP）（pydc）（H2 O）属于正交晶系，空间群是 Pbca ． a ＝06．6393（18） nm ，b＝20．622（6） nm ，c＝26．191（7） nm ，α＝90°，β＝90°，γ＝90°，V＝35．859（17） nm3， Z＝8，ρc ＝16．93 g ·cm －3，F（000）＝1864，GOF＝08．82，R1＝00．374，wR2＝01．118[I ＞2σ（I）]．中心铜原子与配体脱质子2，6‐吡啶二甲酸的2个羧基氧原子和1个氮原子、HIPP的1个氮原子和1个氧原子及1个水分子中的氧原子形成六配位的变形八面体．结构分析表明晶体中分子间含有氢键．