Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Meng, Shuang-Ming, Xie, Hai, Fan, Yue-Qin, Jing, Bu-qin, Guo, Yong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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
_version_ 1782194469462867968
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
work_keys_str_mv AT mengshuangming 3phenyl2pyrrolidin1yl56dihydro8hthiopyrano4345thieno23dpyrimidin43hone
AT xiehai 3phenyl2pyrrolidin1yl56dihydro8hthiopyrano4345thieno23dpyrimidin43hone
AT fanyueqin 3phenyl2pyrrolidin1yl56dihydro8hthiopyrano4345thieno23dpyrimidin43hone
AT jingbuqin 3phenyl2pyrrolidin1yl56dihydro8hthiopyrano4345thieno23dpyrimidin43hone
AT guoyong 3phenyl2pyrrolidin1yl56dihydro8hthiopyrano4345thieno23dpyrimidin43hone