Crystal Structures of the Solvates of Di-ethylaminogossypol with Ethyl Acetate and Pyridine

Crystal Structures of the Solvates of Di-ethylaminogossypol with Ethyl Acetate and Pyridine

The crystal structures of di-ethylaminogossypol with ethyl acetate (DEAG-EA) and pyridine (DEAG-P) were studied by room-temperature X-ray diffraction. The host-to-guest molecule ratio in these complexes is 2:1 for DEAG-EA and 2:5 for DEAG-P. The crystal and cell parameters for DEAG-EA are C34H40N2O6...

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Bibliographic Details
Published in:Journal of chemical crystallography Vol. 39; no. 9; pp. 677 - 682
Main Authors: Tilyabaev, Kamil Z, Talipov, Samat A, Ibragimov, Bakhtiyar T, Dowd, Michael K, Yuldashev, Abdurasul M
Format: Journal Article
Language:English
Published: Boston Springer US 01-09-2009
Subjects:
chemical constituents of plants
Chemistry
Chemistry and Materials Science
crystal structure
Crystallography and Scattering Methods
di-ethylaminogossypol
Gossypium
Inorganic Chemistry
Organometallic Chemistry
Original Paper
phenols
Physical Chemistry
pyridines
X-ray diffraction
Schiff base
Gossypol derivative
Clathrate
Solvate
Host-guest complex
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Summary:The crystal structures of di-ethylaminogossypol with ethyl acetate (DEAG-EA) and pyridine (DEAG-P) were studied by room-temperature X-ray diffraction. The host-to-guest molecule ratio in these complexes is 2:1 for DEAG-EA and 2:5 for DEAG-P. The crystal and cell parameters for DEAG-EA are C34H40N2O6·0.5(C4H8O2), M = 660.78, triclinic, space group P-1, a = 11.316(2) Å, b = 12.082(2) Å, c = 15.085(3) Å, α = 73.34(3)°, β = 73.32(3)°, γ = 73.61(3)°, V = 1,847.3(7) Å3, Z = 2, and d calc. = 1.188 g/cm3 and for DEAG-P are C34H40N2O6·2.5(C5H5 N), M = 769.91, triclinic, space group P-1, a = 9.6090(19) Å, b = 14.894(3) Å, c = 16.038(3) Å, α = 90.66(3)°, β = 106.25(3)°, γ = 103.17(3)°, V = 2138.7(9) Å3, Z = 2, and d calc. = 1.195 g/cm3. In both structures, the di-ethylaminogossypol molecules are in the enamine form, which is the same tautomer found for other reported Schiff base gossypol derivatives. The enantiomeric gossypol molecules of each structure form different centrosymmetric dimer assemblies. These assemblies pack differently in each solvate.
Bibliography:http://dx.doi.org/10.1007/s10870-009-9544-x
http://hdl.handle.net/10113/43988
ISSN:1572-8854
1074-1542
1572-8854
DOI:10.1007/s10870-009-9544-x