Potassium [1-(tert-butoxycarbonyl)-1H-indol-3-yl]trifluoroborate hemihydrate

Guillaume Berionni, Peter Mayer, Herbert Mayr

Research output: Contribution to journalArticle


The asymmetric unit of the title salt, K+·C 13H14BF3NO2·-05H 2O, consists of two derivatized indolyltrifluoridoborate anions, two potassium cations and one water molecule. 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 molecules and also by O - H⋯F hydrogen bonds.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Issue number5
Publication statusPublished - May 2012
Externally publishedYes

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