Acta Crystallographica Section C

Crystal Structure Communications

Volume 57, Part 11 (November 2001)

Acta Cryst. (2001). C57, 1319-1323 [doi:10.1107/S010827010101349X]

Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone

L. Gales, M. E. de Sousa, M. M. M. Pinto, A. Kijjoa and A. M. Damas

Abstract: In order to study structure-activity relationships, a series of mono-, di- and trioxygenated xanthones has been synthesized and the structures of methyl 2-(3,4-dimethoxyphenoxy)benzoate, C₁₆H₁₆O₅, 2-(3,4-dimethoxyphenoxy)benzoic acid, C₁₅H₁₄O₅, 1,2-dimethoxy-9H-xanthen-9-one, C₁₅H₁₂O₄, and 1,2,8-trimethoxy-9H-xanthen-9-one, C₁₆H₁₄O₅, have been determined. The first two compounds both assume skew conformations, the dihedral angles between the two phenyl rings being 80.04 (8) and 83.0 (1)°, respectively. The latter two compounds are essentially planar and their methoxy substituents assume orientations consistent with minimum steric interactions.

Formula: C₁₆H₁₆O₅, C₁₅H₁₄O₅, C₁₅H₁₂O₄ and C₁₆H₁₄O₅

Online 13 November 2001


	Structure factor file (CIF format) (168.7 kbytes) Contains datablock I

	Structure factor file (CIF format) (94.6 kbytes) Contains datablock II

	Structure factor file (CIF format) (89.0 kbytes) Contains datablock III

	Structure factor file (CIF format) (101.7 kbytes) Contains datablock IV

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