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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,...

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Autores principales: Jia, Xue-Fei, Liu, Nan, Fang, Liang-Liang, Zhang, Xin-Ying
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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