X-ray and NMR study of β-cyclodextrin inclusion complexes with 1-methyl-4-ethynyl-4-hydroxypiperidin
Kemelbekov U.S. Ramazanova K.R. Kabdraissova A.Z. Sabirov V.K.
February 2022Elsevier B.V.
Chemical Data Collections
2022#37
β-cyclodextrin (β-CD) (C42H70O35) with entrapped 1-methyl-4-ethynyl-4-hydroxypiperidin (MEP) (C8H13ON) was crystallized as inclusion complex with composition C42H70O35⋅C8H13ON⋅7H2O. The structure of the inclusion complex was studied both in the solid state and in solution by X-ray diffraction and NMR spectroscopy, respectively. The inclusion complex crystallizes in the monoclinic space group P21. Hirshfeld surface calculated for MEP molecule reveals the significance of the C[sbnd]…H[sbnd]C type short contacts among other host-guest interactions. Seven crystallographically determined water molecules form a hydration shell around the inclusion complex units in the crystal linking them into a three-dimensional framework that is stabilized via hydrogen bonds.
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M. Auezov South-Kazakhstan State University, Tauke-khan Str., 5, Shymkent, 160012, Kazakhstan
Tashkent Pharmaceutical Institute, Aybek str., 45, Tashkent, 100015, Uzbekistan
A.B. Bekturov Institute of Chemical Sciences, Sh. Ualihanov str., 106, Almaty, 050010, Kazakhstan
Tashkent State Technical University, Almalyk branch, Ulug`bek Str., 45, Almalyk, 110100, Uzbekistan
M. Auezov South-Kazakhstan State University
Tashkent Pharmaceutical Institute
A.B. Bekturov Institute of Chemical Sciences
Tashkent State Technical University
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