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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...

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Detalles Bibliográficos
Autores principales: Berionni, Guillaume, Mayer, Peter, Mayr, Herbert
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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
Descripción
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.