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6-[(Dimethyl­amino)methyl­ene­amino]-1,3-dimethyl­pyrimidine-2,4(1H,3H)-dione dihydrate

Uracil, the pyrimidine nucleobase, which combined with adenine forms one of the major motifs present in the biopolymer RNA, is also involved in the self-assembly of RNA. In the title compound, C(9)H(14)N(4)O(2)·2H(2)O, the asymmetric unit contains one dimethyl­amino­uracil group and two water mol­ec...

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Detalles Bibliográficos
Autores principales: Das, Subrata, Saikia, Binoy K., Sridhar, B., Thakur, Ashim J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960636/
https://www.ncbi.nlm.nih.gov/pubmed/21201655
http://dx.doi.org/10.1107/S1600536808024021
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author Das, Subrata
Saikia, Binoy K.
Sridhar, B.
Thakur, Ashim J.
author_facet Das, Subrata
Saikia, Binoy K.
Sridhar, B.
Thakur, Ashim J.
author_sort Das, Subrata
collection PubMed
description Uracil, the pyrimidine nucleobase, which combined with adenine forms one of the major motifs present in the biopolymer RNA, is also involved in the self-assembly of RNA. In the title compound, C(9)H(14)N(4)O(2)·2H(2)O, the asymmetric unit contains one dimethyl­amino­uracil group and two water mol­ecules. The plane of the N=C—NMe(2) side chain is inclined at 27.6 (5)° to the plane of the uracil ring. Both water mol­ecules form O—H⋯O hydrogen bonds with the carbonyl O atoms of the uracil group. Additional water–water hydrogen-bond inter­actions are also observed in the crystal structure. The O—H⋯O hydrogen bonds lead to the formation of a two-dimensional hydrogen-bonded network cage consisting of two dimethyl­amino­uracil groups and six water mol­ecules.
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spelling pubmed-29606362010-12-30 6-[(Dimethyl­amino)methyl­ene­amino]-1,3-dimethyl­pyrimidine-2,4(1H,3H)-dione dihydrate Das, Subrata Saikia, Binoy K. Sridhar, B. Thakur, Ashim J. Acta Crystallogr Sect E Struct Rep Online Organic Papers Uracil, the pyrimidine nucleobase, which combined with adenine forms one of the major motifs present in the biopolymer RNA, is also involved in the self-assembly of RNA. In the title compound, C(9)H(14)N(4)O(2)·2H(2)O, the asymmetric unit contains one dimethyl­amino­uracil group and two water mol­ecules. The plane of the N=C—NMe(2) side chain is inclined at 27.6 (5)° to the plane of the uracil ring. Both water mol­ecules form O—H⋯O hydrogen bonds with the carbonyl O atoms of the uracil group. Additional water–water hydrogen-bond inter­actions are also observed in the crystal structure. The O—H⋯O hydrogen bonds lead to the formation of a two-dimensional hydrogen-bonded network cage consisting of two dimethyl­amino­uracil groups and six water mol­ecules. International Union of Crystallography 2008-08-06 /pmc/articles/PMC2960636/ /pubmed/21201655 http://dx.doi.org/10.1107/S1600536808024021 Text en © Das et al. 2008 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
Das, Subrata
Saikia, Binoy K.
Sridhar, B.
Thakur, Ashim J.
6-[(Dimethyl­amino)methyl­ene­amino]-1,3-dimethyl­pyrimidine-2,4(1H,3H)-dione dihydrate
title 6-[(Dimethyl­amino)methyl­ene­amino]-1,3-dimethyl­pyrimidine-2,4(1H,3H)-dione dihydrate
title_full 6-[(Dimethyl­amino)methyl­ene­amino]-1,3-dimethyl­pyrimidine-2,4(1H,3H)-dione dihydrate
title_fullStr 6-[(Dimethyl­amino)methyl­ene­amino]-1,3-dimethyl­pyrimidine-2,4(1H,3H)-dione dihydrate
title_full_unstemmed 6-[(Dimethyl­amino)methyl­ene­amino]-1,3-dimethyl­pyrimidine-2,4(1H,3H)-dione dihydrate
title_short 6-[(Dimethyl­amino)methyl­ene­amino]-1,3-dimethyl­pyrimidine-2,4(1H,3H)-dione dihydrate
title_sort 6-[(dimethyl­amino)methyl­ene­amino]-1,3-dimethyl­pyrimidine-2,4(1h,3h)-dione dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960636/
https://www.ncbi.nlm.nih.gov/pubmed/21201655
http://dx.doi.org/10.1107/S1600536808024021
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