Cargando…
(E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1H,3H)-dione
In the title compound, C(12)H(13)N(5)O(2), a Schiff-base-derived chelate ligand, the non-aromatic heterocycle and its substituents essentially occupy one common plane (r.m.s. of fitted non-H atoms = 0.0503 Å). The N=C bond is E-configured. Intracyclic angles in the pyridine moiety cover the range 1...
Autores principales: | , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200715/ https://www.ncbi.nlm.nih.gov/pubmed/22065567 http://dx.doi.org/10.1107/S1600536811031618 |
_version_ | 1782214733088161792 |
---|---|
author | Booysen, Irvin Hlela, Thulani Ismail, Muhammed Gerber, Thomas Hosten, Eric Betz, Richard |
author_facet | Booysen, Irvin Hlela, Thulani Ismail, Muhammed Gerber, Thomas Hosten, Eric Betz, Richard |
author_sort | Booysen, Irvin |
collection | PubMed |
description | In the title compound, C(12)H(13)N(5)O(2), a Schiff-base-derived chelate ligand, the non-aromatic heterocycle and its substituents essentially occupy one common plane (r.m.s. of fitted non-H atoms = 0.0503 Å). The N=C bond is E-configured. Intracyclic angles in the pyridine moiety cover the range 117.6 (2)–124.1 (2)°. Intra- and intermolecular N—H⋯N and N—H⋯O hydrogen bonds are observed in the crystal structure, as are intra- and intermolecular C—H⋯O contacts which, in total, connect the molecules into a three-dimensional network. The shortest ring-centroid-to-ring-centroid distance of 3.5831 (14) Å is between the two different types of six-membered rings. |
format | Online Article Text |
id | pubmed-3200715 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32007152011-11-06 (E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1H,3H)-dione Booysen, Irvin Hlela, Thulani Ismail, Muhammed Gerber, Thomas Hosten, Eric Betz, Richard Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(12)H(13)N(5)O(2), a Schiff-base-derived chelate ligand, the non-aromatic heterocycle and its substituents essentially occupy one common plane (r.m.s. of fitted non-H atoms = 0.0503 Å). The N=C bond is E-configured. Intracyclic angles in the pyridine moiety cover the range 117.6 (2)–124.1 (2)°. Intra- and intermolecular N—H⋯N and N—H⋯O hydrogen bonds are observed in the crystal structure, as are intra- and intermolecular C—H⋯O contacts which, in total, connect the molecules into a three-dimensional network. The shortest ring-centroid-to-ring-centroid distance of 3.5831 (14) Å is between the two different types of six-membered rings. International Union of Crystallography 2011-08-11 /pmc/articles/PMC3200715/ /pubmed/22065567 http://dx.doi.org/10.1107/S1600536811031618 Text en © Booysen 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 Booysen, Irvin Hlela, Thulani Ismail, Muhammed Gerber, Thomas Hosten, Eric Betz, Richard (E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1H,3H)-dione |
title | (E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1H,3H)-dione |
title_full | (E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1H,3H)-dione |
title_fullStr | (E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1H,3H)-dione |
title_full_unstemmed | (E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1H,3H)-dione |
title_short | (E)-6-Amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1H,3H)-dione |
title_sort | (e)-6-amino-1,3-dimethyl-5-[(pyridin-2-ylmethylidene)amino]pyrimidine-2,4(1h,3h)-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200715/ https://www.ncbi.nlm.nih.gov/pubmed/22065567 http://dx.doi.org/10.1107/S1600536811031618 |
work_keys_str_mv | AT booysenirvin e6amino13dimethyl5pyridin2ylmethylideneaminopyrimidine241h3hdione AT hlelathulani e6amino13dimethyl5pyridin2ylmethylideneaminopyrimidine241h3hdione AT ismailmuhammed e6amino13dimethyl5pyridin2ylmethylideneaminopyrimidine241h3hdione AT gerberthomas e6amino13dimethyl5pyridin2ylmethylideneaminopyrimidine241h3hdione AT hosteneric e6amino13dimethyl5pyridin2ylmethylideneaminopyrimidine241h3hdione AT betzrichard e6amino13dimethyl5pyridin2ylmethylideneaminopyrimidine241h3hdione |