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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...

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Detalles Bibliográficos
Autores principales: Li, Li, Qu, Yong-Nian, Gong, Jian, Hu, Yang-Gen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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