ISSN:
1573-1111
Keywords:
Methylated β-cyclodextrin
;
X-ray crystallography
;
inclusion
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract A novel monomer-type structure of heptakis-(2,6-di-O-methyl)-β-cyclodextrin in a typical monoclinic herringbone scheme has been determined by single crystal X-ray diffraction. Crystal data: space group P21, Z = 2, a = 15.165(6), b = 10.613(3), c = 23.188(8) Å, β = 102.02(4)°, V = 3650(3) Å3 and R = 0.094 for 2933 observed MoKα reflections with I 〉 3σ(I). A unique water molecule located in the intermolecular spaces, reinforces the cohesion between the herringbone chains. The analysis of the electron density distribution suggests that an acetic acid molecule is trapped within the macrocycle cavity, alternately with a water molecule.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1007974723304
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