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3,3′-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one] ethanol disolvate
The title compound, C(32)H(28)N(6)O(4)·2C(2)H(5)OH, consists of two 2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one units connected, via one of the pyrimidine N atoms, to a bridging benzene ring in the 1,4 positions. Two ethanol solvent molecules are also present. The main molecule lies on a...
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/PMC3344434/ https://www.ncbi.nlm.nih.gov/pubmed/22590196 http://dx.doi.org/10.1107/S160053681201375X |
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author | Li, Li Qu, Yong-Nian Gong, Jian Hu, Yang-Gen |
author_facet | Li, Li Qu, Yong-Nian Gong, Jian Hu, Yang-Gen |
author_sort | Li, Li |
collection | PubMed |
description | The title compound, C(32)H(28)N(6)O(4)·2C(2)H(5)OH, consists of two 2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one units connected, via one of the pyrimidine N atoms, to a bridging benzene ring in the 1,4 positions. Two ethanol solvent molecules are also present. The main molecule lies on a center of symmetry located at the center of the benzene ring. The fused-ring system of the benzofuro[3,2-d]pyrimidine moiety is nearly planar (r.m.s. deviation = 0.016 Å) and forms a dihedral angle of 78.21 (7)° with the central benzene ring. The crystal structure features O—H⋯O and N—H⋯O interactions. The C atoms of the propylamino side chain in the main molecule and the ethyl group in the solvent molecule are disordered over two positions, with site-occupancy factors 0.34:0.66 and 0.42:0.58, respectively. |
format | Online Article Text |
id | pubmed-3344434 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33444342012-05-15 3,3′-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one] ethanol disolvate Li, Li Qu, Yong-Nian Gong, Jian Hu, Yang-Gen Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(32)H(28)N(6)O(4)·2C(2)H(5)OH, consists of two 2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one units connected, via one of the pyrimidine N atoms, to a bridging benzene ring in the 1,4 positions. Two ethanol solvent molecules are also present. The main molecule lies on a center of symmetry located at the center of the benzene ring. The fused-ring system of the benzofuro[3,2-d]pyrimidine moiety is nearly planar (r.m.s. deviation = 0.016 Å) and forms a dihedral angle of 78.21 (7)° with the central benzene ring. The crystal structure features O—H⋯O and N—H⋯O interactions. The C atoms of the propylamino side chain in the main molecule and the ethyl group in the solvent molecule are disordered over two positions, with site-occupancy factors 0.34:0.66 and 0.42:0.58, respectively. International Union of Crystallography 2012-04-04 /pmc/articles/PMC3344434/ /pubmed/22590196 http://dx.doi.org/10.1107/S160053681201375X Text en © Li 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 Li, Li Qu, Yong-Nian Gong, Jian Hu, Yang-Gen 3,3′-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one] ethanol disolvate |
title | 3,3′-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one] ethanol disolvate |
title_full | 3,3′-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one] ethanol disolvate |
title_fullStr | 3,3′-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one] ethanol disolvate |
title_full_unstemmed | 3,3′-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one] ethanol disolvate |
title_short | 3,3′-(1,4-Phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3H)-one] ethanol disolvate |
title_sort | 3,3′-(1,4-phenylene)bis[2-(propylamino)benzofuro[3,2-d]pyrimidin-4(3h)-one] ethanol disolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344434/ https://www.ncbi.nlm.nih.gov/pubmed/22590196 http://dx.doi.org/10.1107/S160053681201375X |
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