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1,1′-[(5-Hy­droxy­methyl-1,3-phenyl­ene)bis­(methyl­ene)]dipyridin-4(1H)-one monohydrate

The asymmetric unit of the title compound, C(19)H(18)N(2)O(3), comprises a whole organic dipyridinone mol­ecule plus a water mol­ecule of crystallization. The planes of the pyridinone rings are approximately perpendicular with the plane of the central aromatic ring [dihedral angles = 80.68 (8) and 8...

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Autores principales: Fernandes, José A., Lago, Manuela E. L., Silva, Sandrina, Tomé, João P. C., Cavaleiro, José A. S., Almeida Paz, Filipe A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152136/
https://www.ncbi.nlm.nih.gov/pubmed/21837224
http://dx.doi.org/10.1107/S1600536811024809
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author Fernandes, José A.
Lago, Manuela E. L.
Silva, Sandrina
Tomé, João P. C.
Cavaleiro, José A. S.
Almeida Paz, Filipe A.
author_facet Fernandes, José A.
Lago, Manuela E. L.
Silva, Sandrina
Tomé, João P. C.
Cavaleiro, José A. S.
Almeida Paz, Filipe A.
author_sort Fernandes, José A.
collection PubMed
description The asymmetric unit of the title compound, C(19)H(18)N(2)O(3), comprises a whole organic dipyridinone mol­ecule plus a water mol­ecule of crystallization. The planes of the pyridinone rings are approximately perpendicular with the plane of the central aromatic ring [dihedral angles = 80.68 (8) and 83.65 (8)°]. The C—O bond of the hy­droxy group subtends an angle of 31.71 (10)° with the plane through the central aromatic ring. The crystal packing is mediated by the presence of several O—H⋯O hydrogen-bonding inter­actions and while the water mol­ecules form a C (2) (1)(4) chain parallel to the c axis of the unit cell, the pendant hy­droxy groups are engaged in O—H⋯O=C hydrogen bonds described by a C (1) (1)(12) graph-set motif which runs parallel to the a axis.
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spelling pubmed-31521362011-08-11 1,1′-[(5-Hy­droxy­methyl-1,3-phenyl­ene)bis­(methyl­ene)]dipyridin-4(1H)-one monohydrate Fernandes, José A. Lago, Manuela E. L. Silva, Sandrina Tomé, João P. C. Cavaleiro, José A. S. Almeida Paz, Filipe A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(19)H(18)N(2)O(3), comprises a whole organic dipyridinone mol­ecule plus a water mol­ecule of crystallization. The planes of the pyridinone rings are approximately perpendicular with the plane of the central aromatic ring [dihedral angles = 80.68 (8) and 83.65 (8)°]. The C—O bond of the hy­droxy group subtends an angle of 31.71 (10)° with the plane through the central aromatic ring. The crystal packing is mediated by the presence of several O—H⋯O hydrogen-bonding inter­actions and while the water mol­ecules form a C (2) (1)(4) chain parallel to the c axis of the unit cell, the pendant hy­droxy groups are engaged in O—H⋯O=C hydrogen bonds described by a C (1) (1)(12) graph-set motif which runs parallel to the a axis. International Union of Crystallography 2011-06-30 /pmc/articles/PMC3152136/ /pubmed/21837224 http://dx.doi.org/10.1107/S1600536811024809 Text en © Fernandes et al. 2011 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
Fernandes, José A.
Lago, Manuela E. L.
Silva, Sandrina
Tomé, João P. C.
Cavaleiro, José A. S.
Almeida Paz, Filipe A.
1,1′-[(5-Hy­droxy­methyl-1,3-phenyl­ene)bis­(methyl­ene)]dipyridin-4(1H)-one monohydrate
title 1,1′-[(5-Hy­droxy­methyl-1,3-phenyl­ene)bis­(methyl­ene)]dipyridin-4(1H)-one monohydrate
title_full 1,1′-[(5-Hy­droxy­methyl-1,3-phenyl­ene)bis­(methyl­ene)]dipyridin-4(1H)-one monohydrate
title_fullStr 1,1′-[(5-Hy­droxy­methyl-1,3-phenyl­ene)bis­(methyl­ene)]dipyridin-4(1H)-one monohydrate
title_full_unstemmed 1,1′-[(5-Hy­droxy­methyl-1,3-phenyl­ene)bis­(methyl­ene)]dipyridin-4(1H)-one monohydrate
title_short 1,1′-[(5-Hy­droxy­methyl-1,3-phenyl­ene)bis­(methyl­ene)]dipyridin-4(1H)-one monohydrate
title_sort 1,1′-[(5-hy­droxy­methyl-1,3-phenyl­ene)bis­(methyl­ene)]dipyridin-4(1h)-one monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152136/
https://www.ncbi.nlm.nih.gov/pubmed/21837224
http://dx.doi.org/10.1107/S1600536811024809
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