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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...

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Detalles Bibliográficos
Autores principales: Schmitt, Bonell, Gerber, Thomas, Hosten, Eric, Betz, Richard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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