Synthesis and molecular structure of a novel barium arylspiroboronate ester

Halcovitch, Nathan R. and Geier, Michael J. and Vogels, Christopher M. and Decken, Andreas and Westcott, Stephen A. (2011) Synthesis and molecular structure of a novel barium arylspiroboronate ester. Central European Journal of Chemistry, 9 (3). pp. 386-390. ISSN 1895-1066

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The compound barium bis{bis-(4,6-di-tert-butyl[1,2-benzenediolato(2-)-O,O'] borate)} has been prepared by the addition of 3,5-di-tert-butylcatechol to a solution of boric acid and Ba(OH)2 and characterized by a single crystal X-ray diffraction study. The title compound crystallized in the triclinic space group P-1, with cell parameters a = 13.280(2) Å, b = 15.755(3) Å, and c = 16.980(3) Å, α = 71.691(2)o, β = 79.528(3)o, γ = 80.741(3)o, Z = 1, and V = 3296.1(10) Å3. The structure was solved by direct methods and refined to a final R = 0.0459 for 14370 reflections with I > 2σ(I). One of the arylspiroboronate ester counterions is bound to the barium atom in a rare example of the h1 bonding mode via a single oxygen of one of the catecholato groups. The coordination sphere around the barium is complemented by four molecules of water, one molecule of acetone and two bridging water molecules, connecting to an adjacent barium atom.

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Central European Journal of Chemistry
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17 Jan 2017 14:14
Last Modified:
21 Sep 2023 01:58