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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...

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Detalles Bibliográficos
Autores principales: He, Ping, Wan, Qin-Qin, Liao, Quan-Lei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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