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Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):m551-2. doi: 10.1107/S1600536812014225. Epub 2012 Apr 6.

Potassium [1-(tert-but-oxy-carbon-yl)-1H-indol-3-yl]trifluoro-borate hemihydrate.

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  • 1Ludwig-Maximilians-Universität, Department of Chemistry, Butenandtstrasse 5-13, 81377 München, Germany.


The asymmetric unit of the title salt, K(+)·C(13)H(14)BF(3)NO(2)·0.5H(2)O, consists of two derivatized indolyltrifluoridoborate anions, two potassium cations and one water mol-ecule. Within the indolyltrifluoro-borate anions, the least-square planes consisting of the carboxyl group and the adjacent quarternary C atom of the tert-butyl groups deviate significantly from coplanarity with the indolyl planes [20.44 (11) and 21.02 (10)°]. The potassium ions are coordinated by six atoms (one K(+) ion by two O and four F atoms, and the second K(+) ion by one O and five F atoms), however, one of the potassium ions undergoes an additional weak potassium-π inter-action (K⋯centroid = 3.722 Å). The packing is stabilized by sequential O-H⋯O hydrogen bonds along [100] between water mol-ecules and also by O-H⋯F hydrogen bonds.

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