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2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate
The title compound, C(11)H(20)N(2)PS(+)·BF(4) (−), is a salt of 2-(diisopropylthiophosphorylamino)pyridine, a chelating bidentate ligand that furnishes an S atom as a soft donor and a pyridine N atom as a hard atom for transition-metal complexation. The title salt crystallizes with two formula...
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/PMC3379407/ https://www.ncbi.nlm.nih.gov/pubmed/22719605 http://dx.doi.org/10.1107/S1600536812022295 |
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author | Holzhacker, Christian Kirchner, Karl Mereiter, Kurt |
author_facet | Holzhacker, Christian Kirchner, Karl Mereiter, Kurt |
author_sort | Holzhacker, Christian |
collection | PubMed |
description | The title compound, C(11)H(20)N(2)PS(+)·BF(4) (−), is a salt of 2-(diisopropylthiophosphorylamino)pyridine, a chelating bidentate ligand that furnishes an S atom as a soft donor and a pyridine N atom as a hard atom for transition-metal complexation. The title salt crystallizes with two formula units in the asymmetric unit. The two independent cations are protonated at the pyridine N atoms and have the S atoms syn-oriented to them so as to form bent intramolecular N—H⋯S hydrogen bonds, one of which one is bifurcated by involving also an N—H⋯F interaction. The phosphorylamino NH groups form near linear hydrogen bonds to proximal tetrafluoroborate anions. Five weak C—H⋯F and three weak C—H⋯S interactions link the constituents into a three-dimensional framework. As a result of the crystal packing, the two cations differ notably in conformation, as can be seen from the S—P—N—C torsion angles of −18.7 (1)° in the first and −35.1 (1)° in the second cation. |
format | Online Article Text |
id | pubmed-3379407 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33794072012-06-20 2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate Holzhacker, Christian Kirchner, Karl Mereiter, Kurt Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(20)N(2)PS(+)·BF(4) (−), is a salt of 2-(diisopropylthiophosphorylamino)pyridine, a chelating bidentate ligand that furnishes an S atom as a soft donor and a pyridine N atom as a hard atom for transition-metal complexation. The title salt crystallizes with two formula units in the asymmetric unit. The two independent cations are protonated at the pyridine N atoms and have the S atoms syn-oriented to them so as to form bent intramolecular N—H⋯S hydrogen bonds, one of which one is bifurcated by involving also an N—H⋯F interaction. The phosphorylamino NH groups form near linear hydrogen bonds to proximal tetrafluoroborate anions. Five weak C—H⋯F and three weak C—H⋯S interactions link the constituents into a three-dimensional framework. As a result of the crystal packing, the two cations differ notably in conformation, as can be seen from the S—P—N—C torsion angles of −18.7 (1)° in the first and −35.1 (1)° in the second cation. International Union of Crystallography 2012-05-23 /pmc/articles/PMC3379407/ /pubmed/22719605 http://dx.doi.org/10.1107/S1600536812022295 Text en © Holzhacker 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 | Organic Papers Holzhacker, Christian Kirchner, Karl Mereiter, Kurt 2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate |
title | 2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate |
title_full | 2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate |
title_fullStr | 2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate |
title_full_unstemmed | 2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate |
title_short | 2-[(Diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate |
title_sort | 2-[(diisopropylthiophosphoryl)amino]pyridinium tetrafluoroborate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379407/ https://www.ncbi.nlm.nih.gov/pubmed/22719605 http://dx.doi.org/10.1107/S1600536812022295 |
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