Mol-ecular and crystal structure of gossypol tetra-methyl ether with an unknown solvate.

ABSTRACT: The title compound, C34H38O8 (systematic name: 5,5'-diisopropyl-2,2',3,3'-tetra-meth-oxy-7,7'-dimethyl-2H,2'H-8,8'-bi-[naphtho-[1,8-bc]furan]-4,4'-diol), has been obtained from a gossypol solution in a mixture of dimethyl sulfate and methanol. The mol-ecule is situated on a twofold rotation axis, so the asymmetric unit contains one half-mol-ecule. In the mol-ecule, the hy-droxy groups are involved in intra-molecular O-H?O hydrogen bonds, and the two naphthyl fragments are inclined each to other by 83.8?(1)°. In the crystal, weak C-H?O and C-H?? inter-actions consolidate the packing, which exhibits channels with an approximate diameter of 6?Å extending along the c-axis direction. These channels are filled with highly disordered solvent mol-ecules, so their estimated scattering contribution was subtracted from the observed diffraction data using the SQUEEZE option in PLATON [Spek, A. L. (2015). Acta Cryst. C71, 9-18].

SUBMITTER: Honkeldieva M 

PROVIDER: S-EPMC4384568 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature