Abstract
2,2',4,4'-tetrahydroxybenzophenone, C~3HtoOs, is triclinic, P1, a = 9.950(2), b = 12.479 (2), c = 9.334(1)/k, a = 98.80(1), fl = 93.22(1), 7 = 72.45 (1) °, U = 1091.9/~ 3, Z = 4, M r = 246.1, D x = 1-498(1) Mg m -3. The three-dimensional X-ray diffraction data were measured by the 0-20 scan technique with a scintillation detector. The structure was solved by direct methods and refined by full-matrix least-squares techniques to give R(Fo) = 0.034 and Rw(Fo)=O.047 for the 2499 reflections above 20. There are two symmetry-independent molecules, each of which has two relatively strong intramolecular hydrogen bonds between ortho hydroxyl groups and the keto O atom. Because of differences in crystallographic environment (intermolecular hydrogen bonding), the O . . . O distances of the intramolecular hydrogen bonds are quite variable [2.516 (2) and 2.716 (2)A in one molecule and 2.584 (2) and 2.616 (2)A. in the other molecule]. Each hydroxyl group is involved as either an intramolecular or intermolecular hydrogen-bond donor to another hydroxyl O atom or to a carbonyl O atom. The ortho hydroxyl group with the longest intramolecular O . . . O distance [2.716 (2)AI is the donor for a bifurcated hydrogen bond. Systematic deviations from an ideal benzene-ring geometry are discussed.
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