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Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(4-fluoro­phen­yl)acetamide

The title compounds, C(16)H(15)N(5)OS, (I), and C(12)H(12)FN(5)OS, (II), are [(di­amino­pyrimidine)­sulfan­yl]acetamide derivatives. In (I), the pyrimidine ring is inclined to the naphthalene ring system by 55.5 (1)°, while in (II), the pyrimidine ring is inclined to the benzene ring by 58.93 (8)°....

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Autores principales: Subasri, S., Kumar, Timiri Ajay, Sinha, Barij Nayan, Jayaprakash, Venkatesan, Viswanathan, Vijayan, 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/PMC5290587/
https://www.ncbi.nlm.nih.gov/pubmed/28217364
http://dx.doi.org/10.1107/S2056989017001293
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author Subasri, S.
Kumar, Timiri Ajay
Sinha, Barij Nayan
Jayaprakash, Venkatesan
Viswanathan, Vijayan
Velmurugan, Devadasan
author_facet Subasri, S.
Kumar, Timiri Ajay
Sinha, Barij Nayan
Jayaprakash, Venkatesan
Viswanathan, Vijayan
Velmurugan, Devadasan
author_sort Subasri, S.
collection PubMed
description The title compounds, C(16)H(15)N(5)OS, (I), and C(12)H(12)FN(5)OS, (II), are [(di­amino­pyrimidine)­sulfan­yl]acetamide derivatives. In (I), the pyrimidine ring is inclined to the naphthalene ring system by 55.5 (1)°, while in (II), the pyrimidine ring is inclined to the benzene ring by 58.93 (8)°. In (II), there is an intra­molecular N—H⋯N hydrogen bond and a short C—H⋯O contact. In the crystals of (I) and (II), mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers with R (2) (2)(8) ring motifs. In the crystal of (I), the dimers are linked by bifurcated N—H⋯(O,O) and C—H⋯O hydrogen bonds, forming layers parallel to (100). In the crystal of (II), the dimers are linked by N—H⋯O hydrogen bonds, also forming layers parallel to (100). The layers are linked by C—H⋯F hydrogen bonds, forming a three-dimensional architecture.
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spelling pubmed-52905872017-02-17 Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(4-fluoro­phen­yl)acetamide Subasri, S. Kumar, Timiri Ajay Sinha, Barij Nayan Jayaprakash, Venkatesan Viswanathan, Vijayan Velmurugan, Devadasan Acta Crystallogr E Crystallogr Commun Research Communications The title compounds, C(16)H(15)N(5)OS, (I), and C(12)H(12)FN(5)OS, (II), are [(di­amino­pyrimidine)­sulfan­yl]acetamide derivatives. In (I), the pyrimidine ring is inclined to the naphthalene ring system by 55.5 (1)°, while in (II), the pyrimidine ring is inclined to the benzene ring by 58.93 (8)°. In (II), there is an intra­molecular N—H⋯N hydrogen bond and a short C—H⋯O contact. In the crystals of (I) and (II), mol­ecules are linked by pairs of N—H⋯N hydrogen bonds, forming inversion dimers with R (2) (2)(8) ring motifs. In the crystal of (I), the dimers are linked by bifurcated N—H⋯(O,O) and C—H⋯O hydrogen bonds, forming layers parallel to (100). In the crystal of (II), the dimers are linked by N—H⋯O hydrogen bonds, also forming layers parallel to (100). The layers are linked by C—H⋯F hydrogen bonds, forming a three-dimensional architecture. International Union of Crystallography 2017-01-31 /pmc/articles/PMC5290587/ /pubmed/28217364 http://dx.doi.org/10.1107/S2056989017001293 Text en © Subasri 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
Subasri, S.
Kumar, Timiri Ajay
Sinha, Barij Nayan
Jayaprakash, Venkatesan
Viswanathan, Vijayan
Velmurugan, Devadasan
Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(4-fluoro­phen­yl)acetamide
title Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(4-fluoro­phen­yl)acetamide
title_full Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(4-fluoro­phen­yl)acetamide
title_fullStr Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(4-fluoro­phen­yl)acetamide
title_full_unstemmed Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(4-fluoro­phen­yl)acetamide
title_short Crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(naphthalen-1-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-N-(4-fluoro­phen­yl)acetamide
title_sort crystal structures of 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-n-(naphthalen-1-yl)acetamide and 2-[(4,6-di­amino­pyrimidin-2-yl)sulfan­yl]-n-(4-fluoro­phen­yl)acetamide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5290587/
https://www.ncbi.nlm.nih.gov/pubmed/28217364
http://dx.doi.org/10.1107/S2056989017001293
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