Cargando…

2-(1H-Imidazol-1-yl)-3-isopropyl-1-benzothieno[3,2-d]pyrimidin-4(3H)-one

In the title compound, C(16)H(14)N(4)OS, the three fused rings of the benzothieno[3,2-d]pyrimidinone unit are essentially coplanar, the maximum deviation from the mean plane being 0.067 (3) Å. The dihedral angle between the mean plane of the fused rings and the imidazole ring is 72.00 (3)°. Offset π...

Descripción completa

Detalles Bibliográficos
Autor principal: Xu, Sheng-Zhen
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2007
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915283/
https://www.ncbi.nlm.nih.gov/pubmed/21200789
http://dx.doi.org/10.1107/S1600536807064598
_version_ 1782184903992934400
author Xu, Sheng-Zhen
author_facet Xu, Sheng-Zhen
author_sort Xu, Sheng-Zhen
collection PubMed
description In the title compound, C(16)H(14)N(4)OS, the three fused rings of the benzothieno[3,2-d]pyrimidinone unit are essentially coplanar, the maximum deviation from the mean plane being 0.067 (3) Å. The dihedral angle between the mean plane of the fused rings and the imidazole ring is 72.00 (3)°. Offset π–π stacking inter­actions involving the fused rings are effective in the stabilization of the crystal structure. The centroid–centroid distances between the thienophene and benzene rings, and between the pyrimidine and benzene rings are 3.67 (1) and 3.93 (1) Å, respectively. There are two intramolecular C—H⋯O interactions.
format Text
id pubmed-2915283
institution National Center for Biotechnology Information
language English
publishDate 2007
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29152832010-12-30 2-(1H-Imidazol-1-yl)-3-isopropyl-1-benzothieno[3,2-d]pyrimidin-4(3H)-one Xu, Sheng-Zhen Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(14)N(4)OS, the three fused rings of the benzothieno[3,2-d]pyrimidinone unit are essentially coplanar, the maximum deviation from the mean plane being 0.067 (3) Å. The dihedral angle between the mean plane of the fused rings and the imidazole ring is 72.00 (3)°. Offset π–π stacking inter­actions involving the fused rings are effective in the stabilization of the crystal structure. The centroid–centroid distances between the thienophene and benzene rings, and between the pyrimidine and benzene rings are 3.67 (1) and 3.93 (1) Å, respectively. There are two intramolecular C—H⋯O interactions. International Union of Crystallography 2007-12-06 /pmc/articles/PMC2915283/ /pubmed/21200789 http://dx.doi.org/10.1107/S1600536807064598 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
Xu, Sheng-Zhen
2-(1H-Imidazol-1-yl)-3-isopropyl-1-benzothieno[3,2-d]pyrimidin-4(3H)-one
title 2-(1H-Imidazol-1-yl)-3-isopropyl-1-benzothieno[3,2-d]pyrimidin-4(3H)-one
title_full 2-(1H-Imidazol-1-yl)-3-isopropyl-1-benzothieno[3,2-d]pyrimidin-4(3H)-one
title_fullStr 2-(1H-Imidazol-1-yl)-3-isopropyl-1-benzothieno[3,2-d]pyrimidin-4(3H)-one
title_full_unstemmed 2-(1H-Imidazol-1-yl)-3-isopropyl-1-benzothieno[3,2-d]pyrimidin-4(3H)-one
title_short 2-(1H-Imidazol-1-yl)-3-isopropyl-1-benzothieno[3,2-d]pyrimidin-4(3H)-one
title_sort 2-(1h-imidazol-1-yl)-3-isopropyl-1-benzothieno[3,2-d]pyrimidin-4(3h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915283/
https://www.ncbi.nlm.nih.gov/pubmed/21200789
http://dx.doi.org/10.1107/S1600536807064598
work_keys_str_mv AT xushengzhen 21himidazol1yl3isopropyl1benzothieno32dpyrimidin43hone