Crystal Structure of a Novel Sandwich Inclusion Complex of β-Cyclodextrin with α-Naphthylacetic Acid  

作　　者：WANG En-ju CHEN Guang-ying HAN Chang-ri 

机构地区：[1]Hainan Provincial Key Laboratory of Tropical Pharmaceutical Herb Chemistry, School of Chemistry ＆ Chemical Engineering, Hainan Normal University, Haikou 571158, P. R. China

出　　处：《Chemical Research in Chinese Universities》2011年第5期730-733,共4页高等学校化学研究（英文版）

基　　金：Supported by the Natural Science Foundation of Hainan Province, China(No.808145);the Doctoral Foundation of Hainan Normal University, China(No.103303);the Key Discipline of Hainan Province Organic Chemistry, China(No.006).

摘　　要：A supramolecular inclusion complex between β-cyclodextrin（β-CD） and α-naphthylacetic acid was prepared, and its crystal structure was investigated by single-crystal X-ray crystallography. The complex contains two β-CD molecules, one α-naphthylacetic acid, two ethanols and twenty-eight water molecules in the asymmetric unit, which could be formulated as [（C42H70O35）2·（C12H10O2）·（C2H5OH）2·28H2O]. Two β-CD molecules constitute a dimer by face-to-face contact of their secondary hydroxyl sides. At the interface of the dimer, one α-naphthylacetic acid molecule is sandwiched between two β-CD molecules. Each β-CD unit of the dimer includes one ethanol molecule in its cavity. The β-CD dimers are linked together via hydrogen bonding to form layers that are stacked in a brickwork-like pattern. The comparative study of some sandwich complexes elucidates that the interface of the β-CD dimer has a stronger inclusion capacity than the cavity of β-CD for some suitable planar guest molecules. The novel inclusion structure results from the competitive inclusion of α-naphthylacetic acid and ethanol.A supramolecular inclusion complex between β-cyclodextrin（β-CD） and α-naphthylacetic acid was prepared, and its crystal structure was investigated by single-crystal X-ray crystallography. The complex contains two β-CD molecules, one α-naphthylacetic acid, two ethanols and twenty-eight water molecules in the asymmetric unit, which could be formulated as [（C42H70O35）2·（C12H10O2）·（C2H5OH）2·28H2O]. Two β-CD molecules constitute a dimer by face-to-face contact of their secondary hydroxyl sides. At the interface of the dimer, one α-naphthylacetic acid molecule is sandwiched between two β-CD molecules. Each β-CD unit of the dimer includes one ethanol molecule in its cavity. The β-CD dimers are linked together via hydrogen bonding to form layers that are stacked in a brickwork-like pattern. The comparative study of some sandwich complexes elucidates that the interface of the β-CD dimer has a stronger inclusion capacity than the cavity of β-CD for some suitable planar guest molecules. The novel inclusion structure results from the competitive inclusion of α-naphthylacetic acid and ethanol.

关 键 词：Β-CYCLODEXTRIN α-Naphthylacetic acid Inclusion complex Sandwich complex Competitive inclusion 

分 类 号：O614.121[理学—无机化学] TQ461[理学—化学]