7-Benzyl-3-(4-fluoro­phen­yl)-2-propyl­amino-5,6,7,8-tetra­hydro­pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one

In the title compound, C(25)H(25)FN(4)OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.0089 Å), with a maximum deviation of 0.0261 (17) Å for the N atom adjacent to the benzene ring. This thienopyrimidine fused-ring system forms dihedral angles of 64.73 (3) and 81....

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Detalles Bibliográficos
Autores principales: Hu, Hai-Jun, Chen, Hong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344049/
https://www.ncbi.nlm.nih.gov/pubmed/22589958
http://dx.doi.org/10.1107/S1600536812010318
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author Hu, Hai-Jun
Chen, Hong
author_facet Hu, Hai-Jun
Chen, Hong
author_sort Hu, Hai-Jun
collection PubMed
description In the title compound, C(25)H(25)FN(4)OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.0089 Å), with a maximum deviation of 0.0261 (17) Å for the N atom adjacent to the benzene ring. This thienopyrimidine fused-ring system forms dihedral angles of 64.73 (3) and 81.56 (5)° with the adjacent benzyl and fluoro­phenyl rings, respectively. Inter­molecular N—H⋯F and C—H⋯F hydrogen bonding, as well as C—F⋯π inter­actions [F⋯centroid = 3.449 (3) Å; C—F⋯centroid = 91.87 (15)°], help to stabilize the crystal structure.
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spelling pubmed-33440492012-05-15 7-Benzyl-3-(4-fluoro­phen­yl)-2-propyl­amino-5,6,7,8-tetra­hydro­pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one Hu, Hai-Jun Chen, Hong Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(25)H(25)FN(4)OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.0089 Å), with a maximum deviation of 0.0261 (17) Å for the N atom adjacent to the benzene ring. This thienopyrimidine fused-ring system forms dihedral angles of 64.73 (3) and 81.56 (5)° with the adjacent benzyl and fluoro­phenyl rings, respectively. Inter­molecular N—H⋯F and C—H⋯F hydrogen bonding, as well as C—F⋯π inter­actions [F⋯centroid = 3.449 (3) Å; C—F⋯centroid = 91.87 (15)°], help to stabilize the crystal structure. International Union of Crystallography 2012-03-17 /pmc/articles/PMC3344049/ /pubmed/22589958 http://dx.doi.org/10.1107/S1600536812010318 Text en © Hu and Chen 2012 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
Hu, Hai-Jun
Chen, Hong
7-Benzyl-3-(4-fluoro­phen­yl)-2-propyl­amino-5,6,7,8-tetra­hydro­pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
title 7-Benzyl-3-(4-fluoro­phen­yl)-2-propyl­amino-5,6,7,8-tetra­hydro­pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
title_full 7-Benzyl-3-(4-fluoro­phen­yl)-2-propyl­amino-5,6,7,8-tetra­hydro­pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
title_fullStr 7-Benzyl-3-(4-fluoro­phen­yl)-2-propyl­amino-5,6,7,8-tetra­hydro­pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
title_full_unstemmed 7-Benzyl-3-(4-fluoro­phen­yl)-2-propyl­amino-5,6,7,8-tetra­hydro­pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
title_short 7-Benzyl-3-(4-fluoro­phen­yl)-2-propyl­amino-5,6,7,8-tetra­hydro­pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
title_sort 7-benzyl-3-(4-fluoro­phen­yl)-2-propyl­amino-5,6,7,8-tetra­hydro­pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344049/
https://www.ncbi.nlm.nih.gov/pubmed/22589958
http://dx.doi.org/10.1107/S1600536812010318
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AT chenhong 7benzyl34fluorophenyl2propylamino5678tetrahydropyrido4345thieno23dpyrimidin43hone

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