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

ABSTRACT: 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-? 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.

SUBMITTER: Berionni G 

PROVIDER: S-EPMC3344307 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature