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2-(2-Hydroxy­ethyl­amino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloro­methane hemisolvate

In the title compound, C(18)H(15)N(3)O(3)·0.5CH(2)Cl(2), the fused ring benzofuro[2,3-d]pyrimidine system is essentially planar [maximum deviation 0.029 (1) Å]. The planes of the pyrimidinone and phenyl rings are nearly perpendicular [dihedral angle = 87.50 (14)°]. The packing of the mol­ecules in t...

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Detalles Bibliográficos
Autores principales: Zhang, Zheng-Hong, Liu, Xiao-Ling, Chen, Long-Ju
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969675/
https://www.ncbi.nlm.nih.gov/pubmed/21583184
http://dx.doi.org/10.1107/S1600536809017814
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author Zhang, Zheng-Hong
Liu, Xiao-Ling
Chen, Long-Ju
author_facet Zhang, Zheng-Hong
Liu, Xiao-Ling
Chen, Long-Ju
author_sort Zhang, Zheng-Hong
collection PubMed
description In the title compound, C(18)H(15)N(3)O(3)·0.5CH(2)Cl(2), the fused ring benzofuro[2,3-d]pyrimidine system is essentially planar [maximum deviation 0.029 (1) Å]. The planes of the pyrimidinone and phenyl rings are nearly perpendicular [dihedral angle = 87.50 (14)°]. The packing of the mol­ecules in the crystal structure is governed mainly by inter­molecular O—H⋯O and N—H⋯O hydrogen-bonding inter­actions and inter­molecular π–π inter­actions between benzofuro[3,2-d]pyrimidine units [the interplanar distances are ca 3.4 and 3.5 Å, and the distances between adjacent ring centroids are in the range 3.64 (1)–3.76 (1) Å]. The dichloromethane solvent molecule lies on a special position.
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spelling pubmed-29696752010-12-30 2-(2-Hydroxy­ethyl­amino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloro­methane hemisolvate Zhang, Zheng-Hong Liu, Xiao-Ling Chen, Long-Ju Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(18)H(15)N(3)O(3)·0.5CH(2)Cl(2), the fused ring benzofuro[2,3-d]pyrimidine system is essentially planar [maximum deviation 0.029 (1) Å]. The planes of the pyrimidinone and phenyl rings are nearly perpendicular [dihedral angle = 87.50 (14)°]. The packing of the mol­ecules in the crystal structure is governed mainly by inter­molecular O—H⋯O and N—H⋯O hydrogen-bonding inter­actions and inter­molecular π–π inter­actions between benzofuro[3,2-d]pyrimidine units [the interplanar distances are ca 3.4 and 3.5 Å, and the distances between adjacent ring centroids are in the range 3.64 (1)–3.76 (1) Å]. The dichloromethane solvent molecule lies on a special position. International Union of Crystallography 2009-05-20 /pmc/articles/PMC2969675/ /pubmed/21583184 http://dx.doi.org/10.1107/S1600536809017814 Text en © Zhang et al. 2009 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
Zhang, Zheng-Hong
Liu, Xiao-Ling
Chen, Long-Ju
2-(2-Hydroxy­ethyl­amino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloro­methane hemisolvate
title 2-(2-Hydroxy­ethyl­amino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloro­methane hemisolvate
title_full 2-(2-Hydroxy­ethyl­amino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloro­methane hemisolvate
title_fullStr 2-(2-Hydroxy­ethyl­amino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloro­methane hemisolvate
title_full_unstemmed 2-(2-Hydroxy­ethyl­amino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloro­methane hemisolvate
title_short 2-(2-Hydroxy­ethyl­amino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3H)-one dichloro­methane hemisolvate
title_sort 2-(2-hydroxy­ethyl­amino)-3-phenyl-1-benzofuro[3,2-d]pyrimidin-4(3h)-one dichloro­methane hemisolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969675/
https://www.ncbi.nlm.nih.gov/pubmed/21583184
http://dx.doi.org/10.1107/S1600536809017814
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