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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3152136 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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