Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 12 (December 2013)


organic compounds



pk2503 scheme

Acta Cryst. (2013). E69, o1822-o1823    [ doi:10.1107/S1600536813031462 ]

Benzene-1,3,5-triyl tribenzoate

P. W. R. Corfield and A. M. Balija

Abstract: The title compound, C27H18O6, commonly known as phloroglucinol tribenzoate, is a standard unit for the family of benzyl ether dendrimers. The central phloroglucinol residue is close to planar, with out-of-plane distances for the three oxygen atoms of up to 0.095 (3) Å, while the three attached benzoate groups are approximately planar. One benzoate group is twisted [C-C-O-C torsion angle = 98.2 (3)°] from the central plane, with its carbonyl O atom 2.226 (4) Å above that plane, while the other two benzoate groups are twisted in the opposite direction [C-C-O-C torsion angles = 24.7 (2) and 54.8 (2)°], so that their carbonyl O atoms are on the other side of, and closer to the central plane, with distances from the plane of 1.743 (4) and 1.206 (4) Å. One benzoate group is disordered between two conformers, with occupancies of 86.9 (3) and 13.1 (3)%, related by a 143 (1)° rotation about the bond to the central benzene ring. The phenyl groups of the two conformers occupy the same space. The mol­ecule packs in the crystal with two of the three benzoate phenyl rings stacked parallel to symmetry-related counterparts, with perpendicular distances of 3.715 (5) and 3.791 (5) Å. The parallel rings are slipped away from each other, however, with centroid-centroid distances of 4.122 (2) and 4.363 (2) Å, respectively.


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