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

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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 languageEnglish
Pages (from-to)219-223
JournalSupramolecular Chemistry
Volume10
Issue number3
Publication statusPublished - 1 Dec 1999

Keywords

  • Adamantanone
  • Cyclodextrin
  • Host-guest
  • X-ray

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