Structure of the complex of heptakis(2,6-di- O-methyl)-β-cyclodextrin with (2,4-dichlorophenoxy)acetic acid

• Published in: Carbohydrate research Vol. 337; no. 13; pp. 1229 - 1233
• Main Authors: Tsorteki, Frantzeska, Mentzafos, Dimitris
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier Ltd 16-07-2002
• Subjects: (2,4-Dichlorophenoxy)acetic acid; 2,4-Dichlorophenoxyacetic Acid - chemistry; beta-Cyclodextrins; Carbohydrate Conformation; Crystal structure; Crystallization; Crystallography, X-Ray; Cyclodextrins - chemistry; Heptakis(2,6-di- O-methyl)-β-cyclodextrin; Hydrogen Bonding; Inclusion compound; Models, Molecular; Screw column; Screw column; Inclusion compound; Heptakis(2,6-di- O-methyl)-β-cyclodextrin; (2,4-Dichlorophenoxy)acetic acid; Crystal structure
• ISSN: 0008-6215; 1873-426X
• DOI: 10.1016/S0008-6215(02)00114-3

The structure of the complex formed by heptakis(2,6-di-
O-methyl)-β-cyclodextrin and (2,4-dichlorophenoxy)acetic acid was studied by X-ray diffraction. The dichlorophenyl moiety of the guest molecule was found outside the host hydrophobic cavity in the primary methoxy groups region whereas the oxyacetic acid chain penetrates the cavity from the primary face. The host molecules stacks along the
a crystal axis forming a column. In the space between three successive hosts of the column, a guest molecule is accommodated.
The host molecules stack along the
a screw axis forming a column. The dichlorophenyl moiety of the guest molecule is found outside the host cavity in the space among three successive hosts of the column. Its oxyacetic acid chain penetrates the cavity from the primary face of the host.