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

Autor: Kamil Tilyabaev, Samat Talipov, Bakhtiyar Ibragimov, Michael Dowd, Abdurasul Yuldashev
Předmět:
Zdroj: Journal of Chemical Crystallography; Sep2009, Vol. 39 Issue 9, p677-682, 6p
Abstrakt: Abstract  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. Index Abstract  Crystal structures of the solvates of di-ethylaminogossypol with ethyl acetate and pyridine were determined by X-ray diffraction. [ABSTRACT FROM AUTHOR]
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