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Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2,4-di­methyl­phen­yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(3-meth­oxy­phen­yl)acetamide

In the title compounds, C(14)H(17)N(5)OS (I) and C(13)H(15)N(5)O(2)S (II), the dihedral angle between the pyrimidine and benzene rings is 58.64 (8)° in (I) and 78.33 (9)° in (II). In both compounds, there is an intra­molecular C—H⋯O hydrogen bond, and in (II) there is also an intra­molecular N—H⋯N h...

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Autores principales: Choudhury, Manisha, Viswanathan, Vijayan, Timiri, Ajay Kumar, Sinha, Barij Nayan, Jayaprakash, Venkatesan, Velmurugan, Devadasan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5499277/
https://www.ncbi.nlm.nih.gov/pubmed/28775869
http://dx.doi.org/10.1107/S2056989017008143
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author Choudhury, Manisha
Viswanathan, Vijayan
Timiri, Ajay Kumar
Sinha, Barij Nayan
Jayaprakash, Venkatesan
Velmurugan, Devadasan
author_facet Choudhury, Manisha
Viswanathan, Vijayan
Timiri, Ajay Kumar
Sinha, Barij Nayan
Jayaprakash, Venkatesan
Velmurugan, Devadasan
author_sort Choudhury, Manisha
collection PubMed
description In the title compounds, C(14)H(17)N(5)OS (I) and C(13)H(15)N(5)O(2)S (II), the dihedral angle between the pyrimidine and benzene rings is 58.64 (8)° in (I) and 78.33 (9)° in (II). In both compounds, there is an intra­molecular C—H⋯O hydrogen bond, and in (II) there is also an intra­molecular N—H⋯N hydrogen bond present. In the crystals of both compounds, a pair of N—H⋯N hydrogen bonds links the individual mol­ecules to form inversion dimers with R (2) (2)(8) ring motifs. In (I), the dimers are linked by N—H⋯O and C—H⋯O hydrogen bonds, enclosing R (2) (1)(14), R (2) (1)(11) and R (2) (1)(7) ring motifs, forming layers parallel to the (100) plane. There is also an N—H⋯π inter­action present within the layer. In (II), the inversion dimers are linked by N—H⋯O hydrogen bonds enclosing an R (4) (4)(18) ring motif. The presence of N—H⋯O and C—H⋯O hydrogen bonds generate an R (2) (1)(6) ring motif. The combination of these various hydrogen bonds results in the formation of layers parallel to the (1-11) plane.
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spelling pubmed-54992772017-08-03 Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2,4-di­methyl­phen­yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(3-meth­oxy­phen­yl)acetamide Choudhury, Manisha Viswanathan, Vijayan Timiri, Ajay Kumar Sinha, Barij Nayan Jayaprakash, Venkatesan Velmurugan, Devadasan Acta Crystallogr E Crystallogr Commun Research Communications In the title compounds, C(14)H(17)N(5)OS (I) and C(13)H(15)N(5)O(2)S (II), the dihedral angle between the pyrimidine and benzene rings is 58.64 (8)° in (I) and 78.33 (9)° in (II). In both compounds, there is an intra­molecular C—H⋯O hydrogen bond, and in (II) there is also an intra­molecular N—H⋯N hydrogen bond present. In the crystals of both compounds, a pair of N—H⋯N hydrogen bonds links the individual mol­ecules to form inversion dimers with R (2) (2)(8) ring motifs. In (I), the dimers are linked by N—H⋯O and C—H⋯O hydrogen bonds, enclosing R (2) (1)(14), R (2) (1)(11) and R (2) (1)(7) ring motifs, forming layers parallel to the (100) plane. There is also an N—H⋯π inter­action present within the layer. In (II), the inversion dimers are linked by N—H⋯O hydrogen bonds enclosing an R (4) (4)(18) ring motif. The presence of N—H⋯O and C—H⋯O hydrogen bonds generate an R (2) (1)(6) ring motif. The combination of these various hydrogen bonds results in the formation of layers parallel to the (1-11) plane. International Union of Crystallography 2017-06-13 /pmc/articles/PMC5499277/ /pubmed/28775869 http://dx.doi.org/10.1107/S2056989017008143 Text en © Choudhury et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Choudhury, Manisha
Viswanathan, Vijayan
Timiri, Ajay Kumar
Sinha, Barij Nayan
Jayaprakash, Venkatesan
Velmurugan, Devadasan
Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2,4-di­methyl­phen­yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(3-meth­oxy­phen­yl)acetamide
title Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2,4-di­methyl­phen­yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(3-meth­oxy­phen­yl)acetamide
title_full Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2,4-di­methyl­phen­yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(3-meth­oxy­phen­yl)acetamide
title_fullStr Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2,4-di­methyl­phen­yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(3-meth­oxy­phen­yl)acetamide
title_full_unstemmed Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2,4-di­methyl­phen­yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(3-meth­oxy­phen­yl)acetamide
title_short Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(2,4-di­methyl­phen­yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(3-meth­oxy­phen­yl)acetamide
title_sort crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-n-(2,4-di­methyl­phen­yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-n-(3-meth­oxy­phen­yl)acetamide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5499277/
https://www.ncbi.nlm.nih.gov/pubmed/28775869
http://dx.doi.org/10.1107/S2056989017008143
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