Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 12 (December 2004)

sq1167 scheme

Acta Cryst. (2004). C60, o900-o902 [doi:10.1107/S0108270104023777]

A pimpinellin monomer and dimer isolated from the roots of Esenbeckia grandiflora

P. E. S. de Oliveira, L. M. Conserva, C. A. De Simone, M. A. Pereira, V. R. S. Malta and D. O. Imbroisi

Abstract: X-ray diffraction studies carried out on single crystals of the monomeric, viz. 5,6-dimethoxy-2H-furo[2,3-h][1]benzopyran-2-one, C₁₃H₁₀O₅, and dimeric, viz. 5,5',6,6'-tetramethoxy-3,3',4,4'-tetrahydro-2H,2'H-3,3':4,4'-bi(furo[2,3-h][1]benzopyran)-2,2'-dione, C₂₆H₂₀O₁₀, forms of pimpinellin have revealed that, following cyclodimerization, the carbonyl groups are head-to-head with respect to one another. In the monomer, the heterocyclic ring is planar, but it exhibits a twisted-boat conformation in the dimer. Both the monomer and the dimer interact through C-HO interactions.

Formula: C₁₃H₁₀O₅ and C₂₆H₂₀O₁₀

Online 30 November 2004


	Structure factor file (CIF format) (120.0 kbytes) Contains datablock I

	Structure factor file (CIF format) (497.2 kbytes) Contains datablock II

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