Acta Crystallographica Section C

Crystal Structure Communications

Volume 61, Part 2 (February 2005)

organic compounds

fg1802 scheme

Acta Cryst. (2005). C61, o122-o126 [doi:10.1107/S0108270105000545]

Three trifluoromethyl-substituted protoporphyrinogen IX oxidase inhibitors

B. Li, Y.-M. Lan, C.-T. Hsu, Z.-L. Liu, H.-B. Song, C. Wu and H.-Z. Yang

Abstract: The structures of methyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate, C₁₅H₉ClF₃N₃O₅, (I), methyl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]benzoate, C₁₄H₁₀ClF₃N₂O₄, (II), and 2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-4-(trifluoromethyl)piperidine-2,6-dione, C₁₅H₁₀ClF₄NO₃, (III), are similar in their dihedral angles and in the distances between the farthest two atoms. There are two independent molecules in the structure of (I). The dihedral angles between the two aromatic rings in each molecule in (I), between the benzene and tetrahydropyrimidine rings in (II), and between the benzene ring and the five-atom planar portion of the piperidine-2,6-dione ring in (III) are 80.78 (11)/89.75 (11), 89.13 (9) and 87.52 (13)°, respectively. The distances between the farthest two atoms, viz. OF in the two molecules of (I), and ClF in (II) and (III), are 11.763 (7)/11.953 (6), 10.734 (10) and 10.889 (9) Å, respectively. In all three crystal structures, the molecules are linked to generate sheets of molecules via C-HO interactions.

Formula: C₁₅H₉ClF₃NO₅, C₁₄H₁₀ClF₃N₂O₄ and C₁₅H₁₀ClF₄NO₃


	Structure factor file (CIF format) (275.0 kbytes) Contains datablock I

	Structure factor file (CIF format) (130.0 kbytes) Contains datablock II

	Structure factor file (CIF format) (133.8 kbytes) Contains datablock III

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