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4-Hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5H)-one dihydrate
The title compound, C(15)H(12)N(4)O(4)·2H(2)O, crystallizes with two independent water molecules in the asymmetric unit. The dihedral angles between the mean planes of the benzene and pyrimidine rings and that of the pyrimidin-4-one ring are 85.1 (9) and 82.1 (1)°, respectively. The mean plane of t...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884357/ https://www.ncbi.nlm.nih.gov/pubmed/24454133 http://dx.doi.org/10.1107/S1600536813028900 |
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author | Yamuna, Thammarse S. Jasinski, Jerry P. Anderson, Brian J. Yathirajan, H.S. Kaur, Manpreet |
author_facet | Yamuna, Thammarse S. Jasinski, Jerry P. Anderson, Brian J. Yathirajan, H.S. Kaur, Manpreet |
author_sort | Yamuna, Thammarse S. |
collection | PubMed |
description | The title compound, C(15)H(12)N(4)O(4)·2H(2)O, crystallizes with two independent water molecules in the asymmetric unit. The dihedral angles between the mean planes of the benzene and pyrimidine rings and that of the pyrimidin-4-one ring are 85.1 (9) and 82.1 (1)°, respectively. The mean plane of the pyrimidine ring is twisted by 12.8 (8)° from that of the pyrimidin-4-one ring. The dihedral angles between the benzene ring and the mean planes of the pyrimidine and pyrimidin-4-one rings are 85.1 (9) and 82.1 (1)°, respectively.In the crystal, N–H⋯O, O—H⋯N and O—H⋯O hydrogen bonds involving both water molecules are present; these link the molecules into a two-dimensional network parallel to (010). In addition, weak C—H⋯π and π–π [centroid–centroid distance = 3.6183 (8) Å] interactions occur. |
format | Online Article Text |
id | pubmed-3884357 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38843572014-01-17 4-Hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5H)-one dihydrate Yamuna, Thammarse S. Jasinski, Jerry P. Anderson, Brian J. Yathirajan, H.S. Kaur, Manpreet Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(12)N(4)O(4)·2H(2)O, crystallizes with two independent water molecules in the asymmetric unit. The dihedral angles between the mean planes of the benzene and pyrimidine rings and that of the pyrimidin-4-one ring are 85.1 (9) and 82.1 (1)°, respectively. The mean plane of the pyrimidine ring is twisted by 12.8 (8)° from that of the pyrimidin-4-one ring. The dihedral angles between the benzene ring and the mean planes of the pyrimidine and pyrimidin-4-one rings are 85.1 (9) and 82.1 (1)°, respectively.In the crystal, N–H⋯O, O—H⋯N and O—H⋯O hydrogen bonds involving both water molecules are present; these link the molecules into a two-dimensional network parallel to (010). In addition, weak C—H⋯π and π–π [centroid–centroid distance = 3.6183 (8) Å] interactions occur. International Union of Crystallography 2013-10-26 /pmc/articles/PMC3884357/ /pubmed/24454133 http://dx.doi.org/10.1107/S1600536813028900 Text en © Yamuna et al. 2013 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 Yamuna, Thammarse S. Jasinski, Jerry P. Anderson, Brian J. Yathirajan, H.S. Kaur, Manpreet 4-Hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5H)-one dihydrate |
title | 4-Hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5H)-one dihydrate |
title_full | 4-Hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5H)-one dihydrate |
title_fullStr | 4-Hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5H)-one dihydrate |
title_full_unstemmed | 4-Hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5H)-one dihydrate |
title_short | 4-Hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5H)-one dihydrate |
title_sort | 4-hydroxy-5-(2-methoxyphenoxy)-2,2′-bipyrimidin-6(5h)-one dihydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884357/ https://www.ncbi.nlm.nih.gov/pubmed/24454133 http://dx.doi.org/10.1107/S1600536813028900 |
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