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Structure of the inclusion complexes of heptakis(2,3,6-tri-O-methyl)- β-cyclodextrin with indole-3-butyric acid and 2,4-dichlorophenoxyacetic acid

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dc.contributor.author Tsorteki, F en
dc.contributor.author Bethanis, K en
dc.contributor.author Mentzafos, D en
dc.date.accessioned 2014-06-06T06:46:11Z
dc.date.available 2014-06-06T06:46:11Z
dc.date.issued 2004 en
dc.identifier.issn 00086215 en
dc.identifier.uri http://dx.doi.org/10.1016/j.carres.2003.10.001 en
dc.identifier.uri http://62.217.125.90/xmlui/handle/123456789/2833
dc.subject 2,4-Dichlorophenoxyacetic acid en
dc.subject Auxins en
dc.subject Crystal structures en
dc.subject Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin en
dc.subject Inclusion compounds en
dc.subject Indole-3-butyric acid en
dc.subject.other Conformations en
dc.subject.other Crystal structure en
dc.subject.other Crystallization en
dc.subject.other Hydrogen bonds en
dc.subject.other X ray diffraction analysis en
dc.subject.other Host molecules en
dc.subject.other Carbohydrates en
dc.subject.other 2,4 dichlorophenoxyacetic acid en
dc.subject.other cyclodextrin derivative en
dc.subject.other heptakis(2,3,6 o trimethyl) beta cyclodextrin en
dc.subject.other indole derivative en
dc.subject.other indolebutyric acid en
dc.subject.other oxygen en
dc.subject.other unclassified drug en
dc.subject.other article en
dc.subject.other atom en
dc.subject.other complex formation en
dc.subject.other crystal structure en
dc.subject.other crystallization en
dc.subject.other hydrogen bond en
dc.subject.other methylation en
dc.subject.other molecule en
dc.subject.other priority journal en
dc.subject.other structure analysis en
dc.subject.other X ray diffraction en
dc.subject.other 2,4-Dichlorophenoxyacetic Acid en
dc.subject.other beta-Cyclodextrins en
dc.subject.other Crystallization en
dc.subject.other Cyclodextrins en
dc.subject.other Inclusion Bodies en
dc.subject.other Indoles en
dc.subject.other Models, Molecular en
dc.subject.other Molecular Conformation en
dc.title Structure of the inclusion complexes of heptakis(2,3,6-tri-O-methyl)- β-cyclodextrin with indole-3-butyric acid and 2,4-dichlorophenoxyacetic acid en
heal.type journalArticle en
heal.identifier.primary 10.1016/j.carres.2003.10.001 en
heal.publicationDate 2004 en
heal.abstract The crystal structures of the complexes of heptakis(2,3,6-tri-O-methyl)- β-cyclodextrin with indole-3-butyric acid and with 2,4- dichlorophenoxyacetic acid were studied by X-ray diffraction. The complexes crystallize in the monoclinic P21 space group. The host molecules are elliptically puckered and stacked along the a crystal axis, in a head-to-tail fashion, forming columns. One primary methoxy group of the host molecule of the complex with indole-3-butyric acid has the unusual trans-gauche conformation for permethylated CDs. All the secondary O-3-CH3 methoxy groups, some secondary O-2-CH3 and some primary methoxy groups pointing inwards the cavity enclose the indole or the 2, 4-dichlorophenoxy moieties of the guest molecules inside the cavity, while the chains of the guests protrude between two adjacent host molecules of the columns. The mean planes of the indole and 2,4-dichlorophenoxy moieties of the guests are nearly perpendicular to the mean planes of the elliptical heptagons defined by the O-4n atoms of the hosts. The carboxyl group of the guests form hydrogen bonds with oxygen atoms of the host molecules or with the water molecules found in the space between the complexes of the same column. © 2003 Elsevier Ltd. All rights reserved. en
heal.journalName Carbohydrate Research en
dc.identifier.issue 2 en
dc.identifier.volume 339 en
dc.identifier.doi 10.1016/j.carres.2003.10.001 en
dc.identifier.spage 233 en
dc.identifier.epage 240 en


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