Krukle-Berzina Kristine, Belyakov Sergey, Mishnev Anatoly, Shubin Kirill
Latvian Institute of Organic Synthesis, 21 Aizkraukles street, Riga, LV-1006, Latvia.
Acta Crystallogr E Crystallogr Commun. 2020 Feb 14;76(Pt 3):349-353. doi: 10.1107/S2056989020001942. eCollection 2020 Mar 1.
The crystal structure of the polymeric title compound, -poly[[[di-aqua-lithium]-μ-γ-cyclo-dextrin(1-)-[aqua-lithium]-μ-γ-cyclo-dextrin(1-)] pentadecahydrate], {[Li(CHO)(HO)]·15HO} , consists of deprotonated γ-cyclo-dextrin (CD) mol-ecules assembled by lithium ions into metal-organic ribbons that are cross-linked by multiple O-H⋯O hydrogen bonds into sheets extending parallel to (01). Within a ribbon, one Li ion is coordinated by one deprotonated hydroxyl group of the first γ-CD torus and by one hydroxyl group of the second γ-CD torus as well as by two water mol-ecules. The other Li ion is coordinated by one deprotonated hydroxyl and by one hydroxyl group of the second γ-CD torus, by one hydroxyl group of the first γ-CD torus as well as by one water mol-ecule. The coordination spheres of both Li cations are distorted tetra-hedral. The packing of the structure constitute channels along the axis. Parts of the hy-droxy-methyl groups in cyclo-dextrin molecules as well as water mol-ecules show two-component disorder. Electron density associated with additional disordered solvent mol-ecules inside the cavities was removed with the SQUEEZE [Spek (2015 ▸). C, 9-18] routine in . These solvent mol-ecules are not considered in the given chemical formula and other crystal data. Five out of the sixteen hy-droxy-methyl groups and one water mol-ecule are disordered over two sets of sites.
标题聚合物化合物聚[[[二水合锂]-μ-γ-环糊精(1-)-[水合锂]-μ-γ-环糊精(1-)]十五水合物],{[Li(C₆H₁₀O₅)(H₂O)]·15H₂O}的晶体结构由去质子化的γ-环糊精(CD)分子组成,这些分子通过锂离子组装成金属有机带,这些带通过多个O-H⋯O氢键交联成平行于(01)延伸的片层。在一条带内,一个锂离子由第一个γ-环糊精环的一个去质子化羟基、第二个γ-环糊精环的一个羟基以及两个水分子配位。另一个锂离子由第二个γ-环糊精环的一个去质子化羟基和一个羟基、第一个γ-环糊精环的一个羟基以及一个水分子配位。两个锂阳离子的配位球都是扭曲的四面体。该结构的堆积沿c轴构成通道。环糊精分子中的部分羟甲基基团以及水分子表现出两组分无序。用SQUEEZE [Spek (2015 ▸). Acta Cryst. C, 71, 9–18]程序去除了与腔内额外无序溶剂分子相关的电子密度。在给定的化学式和其他晶体数据中未考虑这些溶剂分子。十六个羟甲基基团中的五个和一个水分子在两组位置上无序。