Crystal and Molecular Structures of (Dibenzo-18-Crown-6)(Nitrato-O,O")-Tetrahydrofuranpotassium, [K(DB18C6)(THF)(NO3)]
Crystal and Molecular Structures of (Dibenzo-18-Crown-6)(Nitrato-O,O")-Tetrahydrofuranpotassium, [K(DB18C6)(THF)(NO3)]
复制标题
(Di苯并-18-Crown-6)(Nitrato-O,O")-四氢呋喃钾，[K(DB18C6)(THF)(NO3)]的晶体和分子结构
DOI：
10.1023/a:1012558820726
复制
发表时间：
2001
影响因子：
1.9
通讯作者：
A. N. Chekhlov
中科院分区：
文献类型：
--
作者：
A. N. Chekhlov
合成了（二苯并-18-冠-6）（硝基-O，O '）四氢呋喃钾配合物[K(DB18C6)(THF)(NO3)] (I)，并用x射线衍射分析对其进行了研究。晶体为正交晶系：a= 9.608 Å， b= 9.926 Å， c= 27.234 Å， Z= 4，空间群P212121。在所有2620个独立反射（CAD4自动衍射仪，λ mok α辐射）的各向异性近似R= 0.099下，用直接法求解结构，并用最小二乘法对结构进行精化。晶体中的配合物i作为单独的主客体分子存在，K+阳离子（CN 9）位于DB18C6大环腔中，并与大环一侧的六个氧原子和两个硝基配体氧原子以及另一侧的THF氧原子配位。i中的DB18C6分子具有近似c2v对称的蝴蝶构象。
The (dibenzo-18-crown-6)(nitrato-O,O")tetrahydrofuranpotassium complex [K(DB18C6)(THF)(NO3)] (I) was synthesized and studied using X-ray diffraction analysis. The crystals are orthorhombic: a= 9.608 Å, b= 9.926 Å, c= 27.234 Å, Z= 4, space group P212121. The structure was solved by the direct method and refined by the least-squares method in the anisotropic approximation to R= 0.099 over all 2620 measured independent reflections (CAD4 automated diffractometer, λMoKαradiation). Complex Iin the crystal exists as individual host–guest molecules, the K+cation (CN 9) being located in the DB18C6 macrocycle cavity and being coordinated to its six oxygen atoms and to two oxygen atoms of the nitrato ligand on one side of the macrocycle and to the THF oxygen atoms on the other side. The DB18C6 molecule in Ihas a butterfly conformation with approximate C2Vsymmetry.