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Crystal structure of N-[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]-2-(cyclo­hexyl­sulfan­yl)acetamide

In the title mol­ecule, C(15)H(20)N(4)OS(2), the acetamido fragment is nearly coplanar with the pyridyl ring [C—N—C—C torsion angle = −4.1 (2)°], while the cyclo­hexyl­sulfanyl portion protrudes from this plane [N—C—C—S torsion angle = −40.8 (6)°]. In the crystal, alternating pairwise N—H⋯O and N—H⋯...

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Autores principales: Mague, Joel T., Mohamed, Shaaban K., Akkurt, Mehmet, Hussein, Bahgat R. M., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186101/
https://www.ncbi.nlm.nih.gov/pubmed/25309209
http://dx.doi.org/10.1107/S1600536814018534
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author Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Hussein, Bahgat R. M.
Albayati, Mustafa R.
author_facet Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Hussein, Bahgat R. M.
Albayati, Mustafa R.
author_sort Mague, Joel T.
collection PubMed
description In the title mol­ecule, C(15)H(20)N(4)OS(2), the acetamido fragment is nearly coplanar with the pyridyl ring [C—N—C—C torsion angle = −4.1 (2)°], while the cyclo­hexyl­sulfanyl portion protrudes from this plane [N—C—C—S torsion angle = −40.8 (6)°]. In the crystal, alternating pairwise N—H⋯O and N—H⋯N hydrogen bonds across inversion centres form chains along [101], which are associated into stepped layers via offset π–π stacking between pyridyl rings [centroid–centroid distance = 3.566 (1) Å]. The cyclo­hexyl group and the two atoms of the S—C bond attached to it are disordered over two sets of sites with site-occupancy factors of 0.8845 (18) and 0.1155 (18).
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spelling pubmed-41861012014-10-12 Crystal structure of N-[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]-2-(cyclo­hexyl­sulfan­yl)acetamide Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet Hussein, Bahgat R. M. Albayati, Mustafa R. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title mol­ecule, C(15)H(20)N(4)OS(2), the acetamido fragment is nearly coplanar with the pyridyl ring [C—N—C—C torsion angle = −4.1 (2)°], while the cyclo­hexyl­sulfanyl portion protrudes from this plane [N—C—C—S torsion angle = −40.8 (6)°]. In the crystal, alternating pairwise N—H⋯O and N—H⋯N hydrogen bonds across inversion centres form chains along [101], which are associated into stepped layers via offset π–π stacking between pyridyl rings [centroid–centroid distance = 3.566 (1) Å]. The cyclo­hexyl group and the two atoms of the S—C bond attached to it are disordered over two sets of sites with site-occupancy factors of 0.8845 (18) and 0.1155 (18). International Union of Crystallography 2014-08-20 /pmc/articles/PMC4186101/ /pubmed/25309209 http://dx.doi.org/10.1107/S1600536814018534 Text en © Mague et al. 2014 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
Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
Hussein, Bahgat R. M.
Albayati, Mustafa R.
Crystal structure of N-[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]-2-(cyclo­hexyl­sulfan­yl)acetamide
title Crystal structure of N-[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]-2-(cyclo­hexyl­sulfan­yl)acetamide
title_full Crystal structure of N-[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]-2-(cyclo­hexyl­sulfan­yl)acetamide
title_fullStr Crystal structure of N-[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]-2-(cyclo­hexyl­sulfan­yl)acetamide
title_full_unstemmed Crystal structure of N-[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]-2-(cyclo­hexyl­sulfan­yl)acetamide
title_short Crystal structure of N-[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]-2-(cyclo­hexyl­sulfan­yl)acetamide
title_sort crystal structure of n-[4-amino-5-cyano-6-(methyl­sulfan­yl)pyridin-2-yl]-2-(cyclo­hexyl­sulfan­yl)acetamide
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186101/
https://www.ncbi.nlm.nih.gov/pubmed/25309209
http://dx.doi.org/10.1107/S1600536814018534
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