The crystal structure of the 1:1 inclusion complex of β-cyclodextrin with squaric acid
The crystal and molecular structure of the 1:1 inclusion complex of β-cyclodextrin (cyclomaltoheptaose) with squaric acid (3,4-dihydroxycyclobutene-1,2-dione) was determined by X-ray diffraction. The complex crystallizes in the monoclinic P2 1 space group and belongs to the monomeric cage-type, char...
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Published in | Carbohydrate research Vol. 333; no. 2; pp. 145 - 151 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
Netherlands
Elsevier Ltd
03.07.2001
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Subjects | |
Online Access | Get full text |
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Summary: | The crystal and molecular structure of the 1:1 inclusion complex of β-cyclodextrin (cyclomaltoheptaose) with squaric acid (3,4-dihydroxycyclobutene-1,2-dione) was determined by X-ray diffraction. The complex crystallizes in the monoclinic
P2
1 space group and belongs to the monomeric cage-type, characterized by a herringbone-like packing motif. Co-crystallized water molecules are present on seven sites, of which six are fully occupied. The guest molecule is placed inside the β-cyclodextrin cavity, perpendicular to the plane defined by the glycosidic O-4
n atoms, and held in place by direct and water-mediated hydrogen bonds mainly involving symmetry-related β-cyclodextrin molecules. The accommodation of the planar guest molecule into the β-cyclodextrin cavity determines a significant distortion of the latter from the sevenfold symmetry.
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ISSN: | 0008-6215 1873-426X |
DOI: | 10.1016/S0008-6215(01)00136-7 |