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Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7-carboxylate
In the title compound, C(21)H(19)N(3)O(3)S, the 5,6,7,8-tetrahydropyridine ring adopts a half-chair conformation. The fused-thieno[2,3-d]pyrimidine ring system is essentially planar (r.m.s. deviation = 0.001 Å) and forms a dihedral angle of 2.66 (6)° with the attached phenyl ring. The three-dimens...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645036/ https://www.ncbi.nlm.nih.gov/pubmed/26594553 http://dx.doi.org/10.1107/S2056989015018447 |
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author | Akkurt, Mehmet Smolenski, Victoria A. Mohamed, Shaaban K. Jasinski, Jerry P. Ahmed, Essam K Albayati, Mustafa R. |
author_facet | Akkurt, Mehmet Smolenski, Victoria A. Mohamed, Shaaban K. Jasinski, Jerry P. Ahmed, Essam K Albayati, Mustafa R. |
author_sort | Akkurt, Mehmet |
collection | PubMed |
description | In the title compound, C(21)H(19)N(3)O(3)S, the 5,6,7,8-tetrahydropyridine ring adopts a half-chair conformation. The fused-thieno[2,3-d]pyrimidine ring system is essentially planar (r.m.s. deviation = 0.001 Å) and forms a dihedral angle of 2.66 (6)° with the attached phenyl ring. The three-dimensional crystal packing is stabilized by C—H⋯O and C—H⋯N hydrogen bonds and C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-4645036 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46450362015-11-20 Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7-carboxylate Akkurt, Mehmet Smolenski, Victoria A. Mohamed, Shaaban K. Jasinski, Jerry P. Ahmed, Essam K Albayati, Mustafa R. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(21)H(19)N(3)O(3)S, the 5,6,7,8-tetrahydropyridine ring adopts a half-chair conformation. The fused-thieno[2,3-d]pyrimidine ring system is essentially planar (r.m.s. deviation = 0.001 Å) and forms a dihedral angle of 2.66 (6)° with the attached phenyl ring. The three-dimensional crystal packing is stabilized by C—H⋯O and C—H⋯N hydrogen bonds and C—H⋯π interactions. International Union of Crystallography 2015-10-10 /pmc/articles/PMC4645036/ /pubmed/26594553 http://dx.doi.org/10.1107/S2056989015018447 Text en © Akkurt et al. 2015 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 Akkurt, Mehmet Smolenski, Victoria A. Mohamed, Shaaban K. Jasinski, Jerry P. Ahmed, Essam K Albayati, Mustafa R. Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7-carboxylate |
title | Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7-carboxylate |
title_full | Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7-carboxylate |
title_fullStr | Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7-carboxylate |
title_full_unstemmed | Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7-carboxylate |
title_short | Crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7-carboxylate |
title_sort | crystal structure of ethyl 2-phenyl-4-(prop-2-yn-1-yloxy)-5,6,7,8-tetrahydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7-carboxylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645036/ https://www.ncbi.nlm.nih.gov/pubmed/26594553 http://dx.doi.org/10.1107/S2056989015018447 |
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