Crystal structure of 4,6-di­amino-2-(methyl­sulfan­yl)pyridine-3-carbo­nitrile

The title pyrimidine derivative, C(7)H(8)N(4)S, is essentially planar, with a maximum deviation of 0.029 (2) Å from the mean plane of the non-H atoms. In the crystal, mol­ecules are linked by an inter­molecular bifurcated N—H⋯N hydrogen bond between the cyano N atom and the two amino groups, an N—H⋯...

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Autores principales: Mohamed, Shaaban K., Knight, Kyle S., Akkurt, Mehmet, Hussein, Bahgat R. M., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350697/
https://www.ncbi.nlm.nih.gov/pubmed/25844246
http://dx.doi.org/10.1107/S2056989015003114
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author Mohamed, Shaaban K.
Knight, Kyle S.
Akkurt, Mehmet
Hussein, Bahgat R. M.
Albayati, Mustafa R.
author_facet Mohamed, Shaaban K.
Knight, Kyle S.
Akkurt, Mehmet
Hussein, Bahgat R. M.
Albayati, Mustafa R.
author_sort Mohamed, Shaaban K.
collection PubMed
description The title pyrimidine derivative, C(7)H(8)N(4)S, is essentially planar, with a maximum deviation of 0.029 (2) Å from the mean plane of the non-H atoms. In the crystal, mol­ecules are linked by an inter­molecular bifurcated N—H⋯N hydrogen bond between the cyano N atom and the two amino groups, an N—H⋯N hydrogen bond between the two amino groups and a weak C—H⋯π inter­action, forming a three-dimensional network.
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spelling pubmed-43506972015-04-03 Crystal structure of 4,6-di­amino-2-(methyl­sulfan­yl)pyridine-3-carbo­nitrile Mohamed, Shaaban K. Knight, Kyle S. Akkurt, Mehmet Hussein, Bahgat R. M. Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports The title pyrimidine derivative, C(7)H(8)N(4)S, is essentially planar, with a maximum deviation of 0.029 (2) Å from the mean plane of the non-H atoms. In the crystal, mol­ecules are linked by an inter­molecular bifurcated N—H⋯N hydrogen bond between the cyano N atom and the two amino groups, an N—H⋯N hydrogen bond between the two amino groups and a weak C—H⋯π inter­action, forming a three-dimensional network. International Union of Crystallography 2015-02-21 /pmc/articles/PMC4350697/ /pubmed/25844246 http://dx.doi.org/10.1107/S2056989015003114 Text en © Mohamed et al. 2015 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 Data Reports
Mohamed, Shaaban K.
Knight, Kyle S.
Akkurt, Mehmet
Hussein, Bahgat R. M.
Albayati, Mustafa R.
Crystal structure of 4,6-di­amino-2-(methyl­sulfan­yl)pyridine-3-carbo­nitrile
title Crystal structure of 4,6-di­amino-2-(methyl­sulfan­yl)pyridine-3-carbo­nitrile
title_full Crystal structure of 4,6-di­amino-2-(methyl­sulfan­yl)pyridine-3-carbo­nitrile
title_fullStr Crystal structure of 4,6-di­amino-2-(methyl­sulfan­yl)pyridine-3-carbo­nitrile
title_full_unstemmed Crystal structure of 4,6-di­amino-2-(methyl­sulfan­yl)pyridine-3-carbo­nitrile
title_short Crystal structure of 4,6-di­amino-2-(methyl­sulfan­yl)pyridine-3-carbo­nitrile
title_sort crystal structure of 4,6-di­amino-2-(methyl­sulfan­yl)pyridine-3-carbo­nitrile
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350697/
https://www.ncbi.nlm.nih.gov/pubmed/25844246
http://dx.doi.org/10.1107/S2056989015003114
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