2-[(4,6-Di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2-methyl­phen­yl)acetamide

In the title compound, C(13)H(15)NOS, the plane of the pyrimidine ring makes a dihedral angle of 54.73 (9)° with that of the o-tolyl ring. The mol­ecule adopts an extended conformation, which is evident from the C—C(=O)—N—C(ar) (ar = aromatic) torsion angle of 178.42 (15)°. In the crystal, mol­ecule...

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Autores principales: Subasri, S., Kumar, Timiri Ajay, Sinha, Barji Nayan, Jayaprakash, Venkatesh, Velmurugan, Devadasan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158502/
https://www.ncbi.nlm.nih.gov/pubmed/25249901
http://dx.doi.org/10.1107/S1600536814015256
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author Subasri, S.
Kumar, Timiri Ajay
Sinha, Barji Nayan
Jayaprakash, Venkatesh
Velmurugan, Devadasan
author_facet Subasri, S.
Kumar, Timiri Ajay
Sinha, Barji Nayan
Jayaprakash, Venkatesh
Velmurugan, Devadasan
author_sort Subasri, S.
collection PubMed
description In the title compound, C(13)H(15)NOS, the plane of the pyrimidine ring makes a dihedral angle of 54.73 (9)° with that of the o-tolyl ring. The mol­ecule adopts an extended conformation, which is evident from the C—C(=O)—N—C(ar) (ar = aromatic) torsion angle of 178.42 (15)°. In the crystal, mol­ecules are linked via pairs of N—H⋯N hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. The dimers are linked by N—H⋯O and C—H⋯O hydrogen bonds, with the O atom accepting three such interactions, forming sheets parallel to (100).
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spelling pubmed-41585022014-09-23 2-[(4,6-Di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2-methyl­phen­yl)acetamide Subasri, S. Kumar, Timiri Ajay Sinha, Barji Nayan Jayaprakash, Venkatesh Velmurugan, Devadasan Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(15)NOS, the plane of the pyrimidine ring makes a dihedral angle of 54.73 (9)° with that of the o-tolyl ring. The mol­ecule adopts an extended conformation, which is evident from the C—C(=O)—N—C(ar) (ar = aromatic) torsion angle of 178.42 (15)°. In the crystal, mol­ecules are linked via pairs of N—H⋯N hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. The dimers are linked by N—H⋯O and C—H⋯O hydrogen bonds, with the O atom accepting three such interactions, forming sheets parallel to (100). International Union of Crystallography 2014-07-05 /pmc/articles/PMC4158502/ /pubmed/25249901 http://dx.doi.org/10.1107/S1600536814015256 Text en © Subasri 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 Organic Papers
Subasri, S.
Kumar, Timiri Ajay
Sinha, Barji Nayan
Jayaprakash, Venkatesh
Velmurugan, Devadasan
2-[(4,6-Di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2-methyl­phen­yl)acetamide
title 2-[(4,6-Di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2-methyl­phen­yl)acetamide
title_full 2-[(4,6-Di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2-methyl­phen­yl)acetamide
title_fullStr 2-[(4,6-Di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2-methyl­phen­yl)acetamide
title_full_unstemmed 2-[(4,6-Di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2-methyl­phen­yl)acetamide
title_short 2-[(4,6-Di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2-methyl­phen­yl)acetamide
title_sort 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-n-(2-methyl­phen­yl)acetamide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158502/
https://www.ncbi.nlm.nih.gov/pubmed/25249901
http://dx.doi.org/10.1107/S1600536814015256
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