The Structure of the Cyclodextrin Complex. I. The Crystal and Molecular Structure of the α-Cyclodextrin– <I>p</I>-Iodoaniline Complex

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概要

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• The crystal structure of the α-cyclodextrin–<I>p</I>-iodoaniline complex [(C<SUB>6</SUB>H<SUB>10</SUB>O<SUB>5</SUB>)<SUB>6</SUB>·C<SUB>6</SUB>H<SUB>6</SUB>NI·3H<SUB>2</SUB>O] has been determined by the X-ray method. The space group is P2<SUB>1</SUB>2<SUB>1</SUB>2<SUB>1</SUB> with unit cell dimensions of <I>a</I>=13.659(2), <I>b</I>=15.413(3), and <I>c</I>=24.486(5) Å. The structure was solved by the heavy-atom method and refined by least-squares techniques. The final <I>R</I>-value was 0.072. The <I>p</I>-iodoaniline molecule is included in the cavity with its axis coincident with the axis of α-cyclodextrin; the iodobenzene group is situated in the cavity, while the amino group sticks out from the cavity. The shortest contact between the α-cyclodextrin molecule and the "guest" <I>p</I>-iodoaniline molecule is 3.25 Å, indicating that the latter is rigidly fixed in the cavity of the former. The distances between the amino group and the hydroxyl group are greater than 4.0 Å; this fact well explains why the catalytic ability of α-cyclodextrin is low in the hydrolysis of <I>para</I>-substituted phenyl esters.

• 公益社団法人 日本化学会の論文

著者

• HARATA KAZUAKI

  Research Institute for Polymer and Textiles

関連論文

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• Temperature effects on CD spectra of .ALPHA.-cyclodextrin complexes with m- and p-nitrophenol.
• The structure of the cyclodextrin complex. II. The crystal structure of .ALPHA.-cyclodextrin-methyl orange (2:1) complex.
• Temperature effects on CD spectra of .BETA.-cyclodextrin complexes with 2-substituted naphthalenes.
• The structure of the cyclodextrin complex. IV. The crystal structure of .ALPHA.-cyclodextrin-sodium 1-propanesulfonate nonahydrate.
• The Structure of the Cyclodextrin Complex. I. The Crystal and Molecular Structure of the α-Cyclodextrin– p-Iodoaniline Complex
• The structure of the cyclodextrin complex. V. Crystal structures of .ALPHA.-cyclodextrin complexes with p-nitrophenol and p-hydroxybenzoic acid.
• The structure of the cyclodextrin complex. XI. Crystal structure of hexakis-(2,3,6-tri-o-methyl)-.ALPHA.-cyclodextrin-p-iodoaniline monohydrate.
• The structure of the cyclodextrin complex. XIV. Crystal structure of hexakis(2,3,6-tri-O-methyl)-.ALPHA.-cyclodextrin-benzaldehyde (1:1) complex.
• The structure of the cyclodextrin complex. XVIII. Crystal structure of .BETA.-cyclodextrin-benzyl alcohol (1:1) complex pentahydrate.
• The structure of the cyclodextrin complex. XV. Crystal structure of hexakis(2,3,6-tri-O-methyl)-.ALPHA.-cyclodextrin-p-nitrophenol(1:1)complex monohydrate.
• The structure of the cyclodextrin complex. XIX Crystal structures of hexakis(2,3,6-tri-O-methyl)-.ALPHA.-cyclodextrin complexes with (S)- and (R)-mandelic acid. Chiral recognition through the induced-fit conformational change of the macrocyclic ring.
• The structure of the cyclodextrin complex. X. Crystal structure of .ALPHA.-cyclodextrin-benzaldehyde (1:1) complex hexahyderate.
• The structure of the cyclodextrin complex. XVI. Crystal structure of heptakis(2,3,6-tri-O-methyl)-.BETA.-cyclodextrin-p-iodophenol(1:1) complex tetrahydrate.
• The structure of the cyclodextrin complex. XVII. Crystal structure of .BETA.-cyclodextrin-hexamethylenetetramine (1:1) complex hexahydrate.
• The structure of the cyclodextrin complex. XXII. Crystal structures of hexakis(2,6-di-O-methyl)-.ALPHA.-cyclodextrin complexes with 1-propanol and iodine. Evidence for the formation of iodine-host charge-transfer complex.

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