Molecular and Crystal Structure of the 1:1 Complex of Adamantanone with β-Cyclodextrin

X. Sánchez-Ruiz; A. Alvarez-Larena; C. Jaime; J. F. Piniella; J. Redondo; A. Virgili; F. Sánchez-Ferrando; G. Germain; F. Baert

Molecular and Crystal Structure of the 1:1 Complex of Adamantanone with β-Cyclodextrin

X. Sánchez-Ruiz, A. Alvarez-Larena, C. Jaime, J. F. Piniella, J. Redondo, A. Virgili, F. Sánchez-Ferrando, G. Germain, F. Baert

Research output: Contribution to journal › Article › Research › peer-review

10 Citations (Scopus)

Abstract

A 1:1 inclusion complex of adamantanone with β-cyclodextrin (β-CyD) has been crystallized and its structure determined by single crystal X-ray methods. This complex crystallizes in space group P2 1, Z=4, Dc = 1.25 g/cm 3, a = 15.428 (5), b = 32.545 (5), c = 15.437 (5) Å, β = 103.56(2)°. The structure was solved by a Patterson search and was refined on F 2 for all reflections to a final value of R(F) = 0.116 for 6306 reflections with I > 2σ(I). The β-CyD molecules follows the screw channel mode of packing. Guests are disordered in three well-defined regions inside the CyD cavities, while water molecules surround the CyD.

Original language	English
Pages (from-to)	219-223
Journal	Supramolecular Chemistry
Volume	10
Issue number	3
Publication status	Published - 1 Dec 1999

Keywords

Adamantanone
Cyclodextrin
Host-guest
X-ray

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title = "Molecular and Crystal Structure of the 1:1 Complex of Adamantanone with β-Cyclodextrin",

abstract = "A 1:1 inclusion complex of adamantanone with β-cyclodextrin (β-CyD) has been crystallized and its structure determined by single crystal X-ray methods. This complex crystallizes in space group P2 1, Z=4, Dc = 1.25 g/cm 3, a = 15.428 (5), b = 32.545 (5), c = 15.437 (5) {\AA}, β = 103.56(2)°. The structure was solved by a Patterson search and was refined on F 2 for all reflections to a final value of R(F) = 0.116 for 6306 reflections with I > 2σ(I). The β-CyD molecules follows the screw channel mode of packing. Guests are disordered in three well-defined regions inside the CyD cavities, while water molecules surround the CyD.",

keywords = "Adamantanone, Cyclodextrin, Host-guest, X-ray",

author = "X. S{\'a}nchez-Ruiz and A. Alvarez-Larena and C. Jaime and Piniella, {J. F.} and J. Redondo and A. Virgili and F. S{\'a}nchez-Ferrando and G. Germain and F. Baert",

year = "1999",

month = dec,

day = "1",

language = "English",

volume = "10",

pages = "219--223",

journal = "Supramolecular Chemistry",

issn = "1061-0278",

number = "3",

}

Molecular and Crystal Structure of the 1:1 Complex of Adamantanone with β-Cyclodextrin. / Sánchez-Ruiz, X.; Alvarez-Larena, A.; Jaime, C.; Piniella, J. F.; Redondo, J.; Virgili, A.; Sánchez-Ferrando, F.; Germain, G.; Baert, F.

In: Supramolecular Chemistry, Vol. 10, No. 3, 01.12.1999, p. 219-223.

Research output: Contribution to journal › Article › Research › peer-review

TY - JOUR

T1 - Molecular and Crystal Structure of the 1:1 Complex of Adamantanone with β-Cyclodextrin

AU - Sánchez-Ruiz, X.

AU - Alvarez-Larena, A.

AU - Jaime, C.

AU - Piniella, J. F.

AU - Redondo, J.

AU - Virgili, A.

AU - Sánchez-Ferrando, F.

AU - Germain, G.

AU - Baert, F.

PY - 1999/12/1

Y1 - 1999/12/1

N2 - A 1:1 inclusion complex of adamantanone with β-cyclodextrin (β-CyD) has been crystallized and its structure determined by single crystal X-ray methods. This complex crystallizes in space group P2 1, Z=4, Dc = 1.25 g/cm 3, a = 15.428 (5), b = 32.545 (5), c = 15.437 (5) Å, β = 103.56(2)°. The structure was solved by a Patterson search and was refined on F 2 for all reflections to a final value of R(F) = 0.116 for 6306 reflections with I > 2σ(I). The β-CyD molecules follows the screw channel mode of packing. Guests are disordered in three well-defined regions inside the CyD cavities, while water molecules surround the CyD.

AB - A 1:1 inclusion complex of adamantanone with β-cyclodextrin (β-CyD) has been crystallized and its structure determined by single crystal X-ray methods. This complex crystallizes in space group P2 1, Z=4, Dc = 1.25 g/cm 3, a = 15.428 (5), b = 32.545 (5), c = 15.437 (5) Å, β = 103.56(2)°. The structure was solved by a Patterson search and was refined on F 2 for all reflections to a final value of R(F) = 0.116 for 6306 reflections with I > 2σ(I). The β-CyD molecules follows the screw channel mode of packing. Guests are disordered in three well-defined regions inside the CyD cavities, while water molecules surround the CyD.

KW - Adamantanone

KW - Cyclodextrin

KW - Host-guest

KW - X-ray

M3 - Article

VL - 10

SP - 219

EP - 223

JO - Supramolecular Chemistry

JF - Supramolecular Chemistry

SN - 1061-0278

IS - 3

ER -

Molecular and Crystal Structure of the 1:1 Complex of Adamantanone with β-Cyclodextrin

Abstract

Keywords

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