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2-(Pyridin-2-ylamino)pyridinium thiocyanate acetonitrile monosolvate
The title compound, C(10)H(10)N(3) (+)·NCS(−)·CH(3)CN, is the acetonitrile solvate of the thiocyanate salt of protonated dipyridin-2-ylamine. Protonation occurs at one of the pyridine N atoms. The molecular geometry around the central N atom is essentially planar (sum of angles = 359.89°). In the...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213439/ https://www.ncbi.nlm.nih.gov/pubmed/22091018 http://dx.doi.org/10.1107/S1600536811026808 |
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author | Schmitt, Bonell Gerber, Thomas Hosten, Eric Betz, Richard |
author_facet | Schmitt, Bonell Gerber, Thomas Hosten, Eric Betz, Richard |
author_sort | Schmitt, Bonell |
collection | PubMed |
description | The title compound, C(10)H(10)N(3) (+)·NCS(−)·CH(3)CN, is the acetonitrile solvate of the thiocyanate salt of protonated dipyridin-2-ylamine. Protonation occurs at one of the pyridine N atoms. The molecular geometry around the central N atom is essentially planar (sum of angles = 359.89°). In the crystal, N—H⋯N hydrogen bonds, as well as C—H⋯S contacts link the different residues into chains along the c-axis direction. Interaction between aromatic systems gives rise to π-stacking, the shortest distance between two π-systems being 3.6902 (6) Å. Both the protonated and the non-protonated pyridyl groups are involved in the latter interaction. |
format | Online Article Text |
id | pubmed-3213439 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32134392011-11-16 2-(Pyridin-2-ylamino)pyridinium thiocyanate acetonitrile monosolvate Schmitt, Bonell Gerber, Thomas Hosten, Eric Betz, Richard Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(10)H(10)N(3) (+)·NCS(−)·CH(3)CN, is the acetonitrile solvate of the thiocyanate salt of protonated dipyridin-2-ylamine. Protonation occurs at one of the pyridine N atoms. The molecular geometry around the central N atom is essentially planar (sum of angles = 359.89°). In the crystal, N—H⋯N hydrogen bonds, as well as C—H⋯S contacts link the different residues into chains along the c-axis direction. Interaction between aromatic systems gives rise to π-stacking, the shortest distance between two π-systems being 3.6902 (6) Å. Both the protonated and the non-protonated pyridyl groups are involved in the latter interaction. International Union of Crystallography 2011-07-09 /pmc/articles/PMC3213439/ /pubmed/22091018 http://dx.doi.org/10.1107/S1600536811026808 Text en © Schmitt et al. 2011 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 Schmitt, Bonell Gerber, Thomas Hosten, Eric Betz, Richard 2-(Pyridin-2-ylamino)pyridinium thiocyanate acetonitrile monosolvate |
title | 2-(Pyridin-2-ylamino)pyridinium thiocyanate acetonitrile monosolvate |
title_full | 2-(Pyridin-2-ylamino)pyridinium thiocyanate acetonitrile monosolvate |
title_fullStr | 2-(Pyridin-2-ylamino)pyridinium thiocyanate acetonitrile monosolvate |
title_full_unstemmed | 2-(Pyridin-2-ylamino)pyridinium thiocyanate acetonitrile monosolvate |
title_short | 2-(Pyridin-2-ylamino)pyridinium thiocyanate acetonitrile monosolvate |
title_sort | 2-(pyridin-2-ylamino)pyridinium thiocyanate acetonitrile monosolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213439/ https://www.ncbi.nlm.nih.gov/pubmed/22091018 http://dx.doi.org/10.1107/S1600536811026808 |
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