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[(2R,3S,5R)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate
In the two independent but very similar molecules (A and B) of the title compound, C(14)H(16)N(2)O(8), both six-membered pyrimidine rings are nearly planar [maximum deviations = 0.010 (3) Å in A and 0.028 (3) Å in B]. The five-membered furanose ring in molecule A adopts an envelope conformation,...
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/PMC3247360/ https://www.ncbi.nlm.nih.gov/pubmed/22219978 http://dx.doi.org/10.1107/S1600536811041304 |
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author | Jia, Xue-Fei Liu, Nan Fang, Liang-Liang Zhang, Xin-Ying |
author_facet | Jia, Xue-Fei Liu, Nan Fang, Liang-Liang Zhang, Xin-Ying |
author_sort | Jia, Xue-Fei |
collection | PubMed |
description | In the two independent but very similar molecules (A and B) of the title compound, C(14)H(16)N(2)O(8), both six-membered pyrimidine rings are nearly planar [maximum deviations = 0.010 (3) Å in A and 0.028 (3) Å in B]. The five-membered furanose ring in molecule A adopts an envelope conformation, while the same ring in molecule B has a twisted conformation. In the crystal, the A molecules are linked via a pair of intermolecular N—H⋯O hydrogen bonds, forming dimers. Each A molecule is further linked to a B molecule via a second N—H⋯O hydrogen bond. There are also a number of C—H⋯·O interactions present, leading to the formation of a three-dimensional network. |
format | Online Article Text |
id | pubmed-3247360 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32473602012-01-04 [(2R,3S,5R)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate Jia, Xue-Fei Liu, Nan Fang, Liang-Liang Zhang, Xin-Ying Acta Crystallogr Sect E Struct Rep Online Organic Papers In the two independent but very similar molecules (A and B) of the title compound, C(14)H(16)N(2)O(8), both six-membered pyrimidine rings are nearly planar [maximum deviations = 0.010 (3) Å in A and 0.028 (3) Å in B]. The five-membered furanose ring in molecule A adopts an envelope conformation, while the same ring in molecule B has a twisted conformation. In the crystal, the A molecules are linked via a pair of intermolecular N—H⋯O hydrogen bonds, forming dimers. Each A molecule is further linked to a B molecule via a second N—H⋯O hydrogen bond. There are also a number of C—H⋯·O interactions present, leading to the formation of a three-dimensional network. International Union of Crystallography 2011-10-12 /pmc/articles/PMC3247360/ /pubmed/22219978 http://dx.doi.org/10.1107/S1600536811041304 Text en © Jia 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 Jia, Xue-Fei Liu, Nan Fang, Liang-Liang Zhang, Xin-Ying [(2R,3S,5R)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate |
title | [(2R,3S,5R)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate |
title_full | [(2R,3S,5R)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate |
title_fullStr | [(2R,3S,5R)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate |
title_full_unstemmed | [(2R,3S,5R)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate |
title_short | [(2R,3S,5R)-3-Acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate |
title_sort | [(2r,3s,5r)-3-acetoxy-5-(5-formyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2,3,4,5-tetrahydrofuran-2-yl]methyl acetate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247360/ https://www.ncbi.nlm.nih.gov/pubmed/22219978 http://dx.doi.org/10.1107/S1600536811041304 |
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