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Ethyl 2-[1-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1′,2′:1,2]pyrimidino[5,4-b][1]benzofuran-3-yl]acetate
The asymmetric unit of the title compound, C(22)H(16)ClN(3)O(5), consists of two crystallographically independent molecules. The fused rings of the imidazo[1,2-a]benzo[4,5]furo[3,2-d]pyrimidine system are nearly coplanar and the chlorophenyl rings are twisted with respect to the two pyrimidinone ri...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2007
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915365/ https://www.ncbi.nlm.nih.gov/pubmed/21200883 http://dx.doi.org/10.1107/S1600536807066998 |
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author | Hu, Yang-Gen Zhu, Zheng-Rong Chen, Yu-Lu |
author_facet | Hu, Yang-Gen Zhu, Zheng-Rong Chen, Yu-Lu |
author_sort | Hu, Yang-Gen |
collection | PubMed |
description | The asymmetric unit of the title compound, C(22)H(16)ClN(3)O(5), consists of two crystallographically independent molecules. The fused rings of the imidazo[1,2-a]benzo[4,5]furo[3,2-d]pyrimidine system are nearly coplanar and the chlorophenyl rings are twisted with respect to the two pyrimidinone ring systems by 71.00 (2) and 62.59 (2)°. The C atoms of the ethyl side chain are disordered and were refined using a split model. In the crystal structure, the molecules are connected via weak intra- and intermolecular C—H⋯O interactions are present. The ethyl group in one molecule is disordered over two positions, with site occupancy factors 0.55 and 0.45; in the other molecule only the methyl group is disordered over two positions, with site occupancy factors 0.6 and 0.4. |
format | Text |
id | pubmed-2915365 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2007 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29153652010-12-30 Ethyl 2-[1-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1′,2′:1,2]pyrimidino[5,4-b][1]benzofuran-3-yl]acetate Hu, Yang-Gen Zhu, Zheng-Rong Chen, Yu-Lu Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(22)H(16)ClN(3)O(5), consists of two crystallographically independent molecules. The fused rings of the imidazo[1,2-a]benzo[4,5]furo[3,2-d]pyrimidine system are nearly coplanar and the chlorophenyl rings are twisted with respect to the two pyrimidinone ring systems by 71.00 (2) and 62.59 (2)°. The C atoms of the ethyl side chain are disordered and were refined using a split model. In the crystal structure, the molecules are connected via weak intra- and intermolecular C—H⋯O interactions are present. The ethyl group in one molecule is disordered over two positions, with site occupancy factors 0.55 and 0.45; in the other molecule only the methyl group is disordered over two positions, with site occupancy factors 0.6 and 0.4. International Union of Crystallography 2007-12-21 /pmc/articles/PMC2915365/ /pubmed/21200883 http://dx.doi.org/10.1107/S1600536807066998 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 Hu, Yang-Gen Zhu, Zheng-Rong Chen, Yu-Lu Ethyl 2-[1-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1′,2′:1,2]pyrimidino[5,4-b][1]benzofuran-3-yl]acetate |
title | Ethyl 2-[1-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1′,2′:1,2]pyrimidino[5,4-b][1]benzofuran-3-yl]acetate |
title_full | Ethyl 2-[1-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1′,2′:1,2]pyrimidino[5,4-b][1]benzofuran-3-yl]acetate |
title_fullStr | Ethyl 2-[1-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1′,2′:1,2]pyrimidino[5,4-b][1]benzofuran-3-yl]acetate |
title_full_unstemmed | Ethyl 2-[1-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1′,2′:1,2]pyrimidino[5,4-b][1]benzofuran-3-yl]acetate |
title_short | Ethyl 2-[1-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1′,2′:1,2]pyrimidino[5,4-b][1]benzofuran-3-yl]acetate |
title_sort | ethyl 2-[1-(4-chlorophenyl)-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1′,2′:1,2]pyrimidino[5,4-b][1]benzofuran-3-yl]acetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915365/ https://www.ncbi.nlm.nih.gov/pubmed/21200883 http://dx.doi.org/10.1107/S1600536807066998 |
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