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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⋯...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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). |
format | Online Article Text |
id | pubmed-4186101 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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