2,4-Dioxo-1-(prop-2-yn­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carbaldehyde

In the crystal structure of the title compound, C(8)H(6)N(2)O(3), the mol­ecules are linked by a pairs of inter­molecular N—H⋯O hydrogen bonds, forming inversion dimers. The aldehyde group is in the same plane as the pyrimidine ring [with a maximum deviation of 0.083 (2) Å for the O atom), and the l...

Descripción completa

Detalles Bibliográficos
Autores principales: He, Yan, Cui, Liang-Yan, Zhang, Xin-Ying
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200754/
https://www.ncbi.nlm.nih.gov/pubmed/22058966
http://dx.doi.org/10.1107/S1600536811032272
_version_ 1782214742052438016
author He, Yan
Cui, Liang-Yan
Zhang, Xin-Ying
author_facet He, Yan
Cui, Liang-Yan
Zhang, Xin-Ying
author_sort He, Yan
collection PubMed
description In the crystal structure of the title compound, C(8)H(6)N(2)O(3), the mol­ecules are linked by a pairs of inter­molecular N—H⋯O hydrogen bonds, forming inversion dimers. The aldehyde group is in the same plane as the pyrimidine ring [with a maximum deviation of 0.083 (2) Å for the O atom), and the linear propargyl group [C—C—C = 178.99 (19)°] makes a dihedral angle of 74.36 (13)° with the ring.
format Online
Article
Text
id pubmed-3200754
institution National Center for Biotechnology Information
language English
publishDate 2011
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-32007542011-11-06 2,4-Dioxo-1-(prop-2-yn­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carbaldehyde He, Yan Cui, Liang-Yan Zhang, Xin-Ying Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(8)H(6)N(2)O(3), the mol­ecules are linked by a pairs of inter­molecular N—H⋯O hydrogen bonds, forming inversion dimers. The aldehyde group is in the same plane as the pyrimidine ring [with a maximum deviation of 0.083 (2) Å for the O atom), and the linear propargyl group [C—C—C = 178.99 (19)°] makes a dihedral angle of 74.36 (13)° with the ring. International Union of Crystallography 2011-08-17 /pmc/articles/PMC3200754/ /pubmed/22058966 http://dx.doi.org/10.1107/S1600536811032272 Text en © He 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
He, Yan
Cui, Liang-Yan
Zhang, Xin-Ying
2,4-Dioxo-1-(prop-2-yn­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carbaldehyde
title 2,4-Dioxo-1-(prop-2-yn­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carbaldehyde
title_full 2,4-Dioxo-1-(prop-2-yn­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carbaldehyde
title_fullStr 2,4-Dioxo-1-(prop-2-yn­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carbaldehyde
title_full_unstemmed 2,4-Dioxo-1-(prop-2-yn­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carbaldehyde
title_short 2,4-Dioxo-1-(prop-2-yn­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carbaldehyde
title_sort 2,4-dioxo-1-(prop-2-yn­yl)-1,2,3,4-tetra­hydro­pyrimidine-5-carbaldehyde
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200754/
https://www.ncbi.nlm.nih.gov/pubmed/22058966
http://dx.doi.org/10.1107/S1600536811032272
work_keys_str_mv AT heyan 24dioxo1prop2ynyl1234tetrahydropyrimidine5carbaldehyde
AT cuiliangyan 24dioxo1prop2ynyl1234tetrahydropyrimidine5carbaldehyde
AT zhangxinying 24dioxo1prop2ynyl1234tetrahydropyrimidine5carbaldehyde

Ejemplares similares