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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...

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Autores principales: Yamuna, Thammarse S., Jasinski, Jerry P., Anderson, Brian J., Yathirajan, H.S., Kaur, Manpreet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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