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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
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author Berionni, Guillaume
Mayer, Peter
Mayr, Herbert
author_facet Berionni, Guillaume
Mayer, Peter
Mayr, Herbert
author_sort Berionni, Guillaume
collection PubMed
description 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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spelling pubmed-33443072012-05-15 Potassium [1-(tert-but­oxy­carbon­yl)-1H-indol-3-yl]trifluoro­borate hemihydrate Berionni, Guillaume Mayer, Peter Mayr, Herbert Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers 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. International Union of Crystallography 2012-04-06 /pmc/articles/PMC3344307/ /pubmed/22590073 http://dx.doi.org/10.1107/S1600536812014225 Text en © Berionni et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Berionni, Guillaume
Mayer, Peter
Mayr, Herbert
Potassium [1-(tert-but­oxy­carbon­yl)-1H-indol-3-yl]trifluoro­borate hemihydrate
title Potassium [1-(tert-but­oxy­carbon­yl)-1H-indol-3-yl]trifluoro­borate hemihydrate
title_full Potassium [1-(tert-but­oxy­carbon­yl)-1H-indol-3-yl]trifluoro­borate hemihydrate
title_fullStr Potassium [1-(tert-but­oxy­carbon­yl)-1H-indol-3-yl]trifluoro­borate hemihydrate
title_full_unstemmed Potassium [1-(tert-but­oxy­carbon­yl)-1H-indol-3-yl]trifluoro­borate hemihydrate
title_short Potassium [1-(tert-but­oxy­carbon­yl)-1H-indol-3-yl]trifluoro­borate hemihydrate
title_sort potassium [1-(tert-but­oxy­carbon­yl)-1h-indol-3-yl]trifluoro­borate hemihydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344307/
https://www.ncbi.nlm.nih.gov/pubmed/22590073
http://dx.doi.org/10.1107/S1600536812014225
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