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

Permanent URL:
http://handle.nal.usda.gov/10113/43988
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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.
Author(s):
Tilyabaev, Kamil Z. , Talipov, Samat A. , Ibragimov, Bakhtiyar T. , Dowd, Michael K. , Yuldashev, Abdurasul M.
Subject(s):
X-ray diffraction , crystal structure , phenols , pyridines , chemical constituents of plants , Gossypium
Format:
p. 677-682.
Note:
Includes references
Source:
Journal of chemical crystallography 2009 Sept., v. 39, no. 9
Language:
English
Year:
2009
Collection:
Journal Articles, USDA Authors, Peer-Reviewed
Rights:
Works produced by employees of the U.S. Government as part of their official duties are not copyrighted within the U.S. The content of this document is not copyrighted.