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(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...

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Autores principales: Booysen, Irvin, Hlela, Thulani, Ismail, Muhammed, Gerber, Thomas, Hosten, Eric, Betz, Richard
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
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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.
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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
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