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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...

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Detalles Bibliográficos
Autores principales: Cao, Min-Hui, Zhu, Jun, Ni, De-Jiang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2007
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.
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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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