Conformations of Bridged Diphenyls. III. Crystal Structure of 2-(2′-Carbomethoxy-4′-nitrophenoxy)-1,3,5-trichlorobenzene

Abstract

The structure of 2-(2′-carbomethoxy-4′-nitrophenoxy)-1,3,5-trichlorobenzene, C14H8NO5Cl3, has been determined by X-ray diffraction. The crystals are triclinic, a = 8.862(10), b = 15.164(10), c = 13.028(14) Å, α = 90.35(8), β = 116.28(8), γ = 97.54(8)°, [Formula: see text] with Z = 4. The intensities of 6417 independent reflections were measured on a four circle diffractometer of which 4526 were used in the refinement to give a final least-squares residue of 0.047. The two independent molecules in the unit cell show a similar conformation to that found in earlier studies of diphenyl ethers, and the conformation appears to be determined partly by steric effects, since conjugation between the nitro-substituted ring and the ether oxygen atoms is less pronounced than found previously.