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Potassium [1-(tert-butoxycarbonyl)-1H-indol-3-yl]trifluoroborate hemihydrate
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 molecule. Within the indolyltrifluoroborate anions, the least-square planes consisting of the carboxyl group and the adjacent...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344307/ https://www.ncbi.nlm.nih.gov/pubmed/22590073 http://dx.doi.org/10.1107/S1600536812014225 |
Sumario: | 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 molecule. Within the indolyltrifluoroborate 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 interaction (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. |
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