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3-Benzyl-1-butylimidazo[1,2-a]benzothieno[3,2-d]pyrimidine-2,5(1H,3H)-dione
In the crystal structure of the title compound, C(23)H(21)N(3)O(2)S, all ring atoms of the imidazo[1,2-a]benzothieno[3,2-d]pyrimidine system are essentially coplanar and the phenyl ring is twisted with respect to it [dihedral angle = 72.60 (9)°]. The crystal packing is mainly governed by C—H⋯π hydro...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2007
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2914972/ https://www.ncbi.nlm.nih.gov/pubmed/21200666 http://dx.doi.org/10.1107/S1600536807061521 |
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author | Cao, Min-Hui Zhu, Jun Ni, De-Jiang |
author_facet | Cao, Min-Hui Zhu, Jun Ni, De-Jiang |
author_sort | Cao, Min-Hui |
collection | PubMed |
description | In the crystal structure of the title compound, C(23)H(21)N(3)O(2)S, all ring atoms of the imidazo[1,2-a]benzothieno[3,2-d]pyrimidine system are essentially coplanar and the phenyl ring is twisted with respect to it [dihedral angle = 72.60 (9)°]. The crystal packing is mainly governed by C—H⋯π hydrogen bonds and intermolecular π–π interactions, with interplanar distances of 3.54 (1) and 3.56 (1) Å, and with distances between adjacent ring centroids of 3.72 (1) and 3.80 (1) Å. The three terminal C atoms of the butyl group are disordered over two positions; the site occupancy factors are ca 0.6 and 0.4. |
format | Text |
id | pubmed-2914972 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2007 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29149722010-12-30 3-Benzyl-1-butylimidazo[1,2-a]benzothieno[3,2-d]pyrimidine-2,5(1H,3H)-dione Cao, Min-Hui Zhu, Jun Ni, De-Jiang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(23)H(21)N(3)O(2)S, all ring atoms of the imidazo[1,2-a]benzothieno[3,2-d]pyrimidine system are essentially coplanar and the phenyl ring is twisted with respect to it [dihedral angle = 72.60 (9)°]. The crystal packing is mainly governed by C—H⋯π hydrogen bonds and intermolecular π–π interactions, with interplanar distances of 3.54 (1) and 3.56 (1) Å, and with distances between adjacent ring centroids of 3.72 (1) and 3.80 (1) Å. The three terminal C atoms of the butyl group are disordered over two positions; the site occupancy factors are ca 0.6 and 0.4. International Union of Crystallography 2007-12-06 /pmc/articles/PMC2914972/ /pubmed/21200666 http://dx.doi.org/10.1107/S1600536807061521 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 Cao, Min-Hui Zhu, Jun Ni, De-Jiang 3-Benzyl-1-butylimidazo[1,2-a]benzothieno[3,2-d]pyrimidine-2,5(1H,3H)-dione |
title | 3-Benzyl-1-butylimidazo[1,2-a]benzothieno[3,2-d]pyrimidine-2,5(1H,3H)-dione |
title_full | 3-Benzyl-1-butylimidazo[1,2-a]benzothieno[3,2-d]pyrimidine-2,5(1H,3H)-dione |
title_fullStr | 3-Benzyl-1-butylimidazo[1,2-a]benzothieno[3,2-d]pyrimidine-2,5(1H,3H)-dione |
title_full_unstemmed | 3-Benzyl-1-butylimidazo[1,2-a]benzothieno[3,2-d]pyrimidine-2,5(1H,3H)-dione |
title_short | 3-Benzyl-1-butylimidazo[1,2-a]benzothieno[3,2-d]pyrimidine-2,5(1H,3H)-dione |
title_sort | 3-benzyl-1-butylimidazo[1,2-a]benzothieno[3,2-d]pyrimidine-2,5(1h,3h)-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2914972/ https://www.ncbi.nlm.nih.gov/pubmed/21200666 http://dx.doi.org/10.1107/S1600536807061521 |
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