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Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
In the title compound, C(31)H(37)ClN(4)O(3), the fused rings of the pyrrolo[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393266/ https://www.ncbi.nlm.nih.gov/pubmed/22807823 http://dx.doi.org/10.1107/S1600536812024609 |
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author | He, Ping Wan, Qin-Qin Liao, Quan-Lei |
author_facet | He, Ping Wan, Qin-Qin Liao, Quan-Lei |
author_sort | He, Ping |
collection | PubMed |
description | In the title compound, C(31)H(37)ClN(4)O(3), the fused rings of the pyrrolo[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral angles of 61.05 (12) and 75.39 (10)°, respectively. The ethoxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, molecules are linked via C—H⋯O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also π–π [centroid–centroid distances = 3.5954 (17) and 3.965 (2) Å] and C—H⋯π interactions present. |
format | Online Article Text |
id | pubmed-3393266 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33932662012-07-17 Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate He, Ping Wan, Qin-Qin Liao, Quan-Lei Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(31)H(37)ClN(4)O(3), the fused rings of the pyrrolo[3,2-d]pyrimidine system form a dihedral angle of 5.80 (11)°. The phenyl and benzene rings are twisted with respect to the mean plane of the pyrrolo[3,2-d]pyrimidine system [maximum deviation = 0.077 (2) Å], making dihedral angles of 61.05 (12) and 75.39 (10)°, respectively. The ethoxy group is disordered over two positions with the site-occupancy ratio fixed at 0.54:0.46. In the crystal, molecules are linked via C—H⋯O hydrogen bonds, forming a two-dimensional network lying parallel to the ab plane. There are also π–π [centroid–centroid distances = 3.5954 (17) and 3.965 (2) Å] and C—H⋯π interactions present. International Union of Crystallography 2012-06-02 /pmc/articles/PMC3393266/ /pubmed/22807823 http://dx.doi.org/10.1107/S1600536812024609 Text en © He et al. 2012 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 He, Ping Wan, Qin-Qin Liao, Quan-Lei Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate |
title | Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate |
title_full | Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate |
title_fullStr | Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate |
title_full_unstemmed | Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate |
title_short | Ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylate |
title_sort | ethyl 3-(4-chlorophenyl)-2-(dipentylamino)-4-oxo-5-phenyl-4,5-dihydro-3h-pyrrolo[3,2-d]pyrimidine-7-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393266/ https://www.ncbi.nlm.nih.gov/pubmed/22807823 http://dx.doi.org/10.1107/S1600536812024609 |
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