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3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
In the title compound, C(19)H(19)N(3)OS(2), the thiopyran ring adopts a twist-chair conformation and the pyrimidinone unit is essentially planar, with a mean deviation of 0.0497 Å. The thiophene ring is essentially planar with a maximum deviation of 0.024 (2) Å, while the pyrrolidine ring exhibits...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007963/ https://www.ncbi.nlm.nih.gov/pubmed/21588734 http://dx.doi.org/10.1107/S1600536810032794 |
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author | Meng, Shuang-Ming Xie, Hai Fan, Yue-Qin Jing, Bu-qin Guo, Yong |
author_facet | Meng, Shuang-Ming Xie, Hai Fan, Yue-Qin Jing, Bu-qin Guo, Yong |
author_sort | Meng, Shuang-Ming |
collection | PubMed |
description | In the title compound, C(19)H(19)N(3)OS(2), the thiopyran ring adopts a twist-chair conformation and the pyrimidinone unit is essentially planar, with a mean deviation of 0.0497 Å. The thiophene ring is essentially planar with a maximum deviation of 0.024 (2) Å, while the pyrrolidine ring exhibits an envelope conformation. The pyrimidinone and thiophene rings are almost coplanar, forming a dihedral angle of 6.31 (15)°, while the dihedral angle between the mean planes of the phenyl ring and the pyrimidinone ring is 68.13 (10)°. In the crystal structure, adjacent molecules are linked by C—H⋯O hydrogen bonds, forming a two-dimensional network in the ac plane. |
format | Text |
id | pubmed-3007963 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30079632010-12-30 3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one Meng, Shuang-Ming Xie, Hai Fan, Yue-Qin Jing, Bu-qin Guo, Yong Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(19)H(19)N(3)OS(2), the thiopyran ring adopts a twist-chair conformation and the pyrimidinone unit is essentially planar, with a mean deviation of 0.0497 Å. The thiophene ring is essentially planar with a maximum deviation of 0.024 (2) Å, while the pyrrolidine ring exhibits an envelope conformation. The pyrimidinone and thiophene rings are almost coplanar, forming a dihedral angle of 6.31 (15)°, while the dihedral angle between the mean planes of the phenyl ring and the pyrimidinone ring is 68.13 (10)°. In the crystal structure, adjacent molecules are linked by C—H⋯O hydrogen bonds, forming a two-dimensional network in the ac plane. International Union of Crystallography 2010-08-25 /pmc/articles/PMC3007963/ /pubmed/21588734 http://dx.doi.org/10.1107/S1600536810032794 Text en © Meng et al. 2010 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 Meng, Shuang-Ming Xie, Hai Fan, Yue-Qin Jing, Bu-qin Guo, Yong 3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
title | 3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
title_full | 3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
title_fullStr | 3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
title_full_unstemmed | 3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
title_short | 3-Phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8H-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
title_sort | 3-phenyl-2-(pyrrolidin-1-yl)-5,6-dihydro-8h-thiopyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3h)-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007963/ https://www.ncbi.nlm.nih.gov/pubmed/21588734 http://dx.doi.org/10.1107/S1600536810032794 |
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