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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Abstract

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.

Item Type:
Journal Article
Journal or Publication Title:
Central European Journal of Chemistry
Uncontrolled Keywords:
/dk/atira/pure/subjectarea/asjc/2500/2505
Subjects:
ID Code:
84035
Deposited By:
Deposited On:
17 Jan 2017 14:14
Refereed?:
Yes
Published?:
Published
Last Modified:
01 Jan 2020 09:31