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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 |
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International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3344307 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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