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Redetermination of 2-methyl-4-nitro­pyridine N-oxide

An improved crystal structure of the title compound, C(6)H(6)N(2)O(3), is reported. The structure, previously solved [Li et al. (1987 ▶). Jiegou Huaxue (Chin. J. Struct. Chem.), 6, 20–24] in the ortho­rhom­bic space group Pca2(1) and refined to R = 0.067, has been solved in the ortho­rhom­bic space...

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Detalles Bibliográficos
Autores principales: Peukert, Max, Seichter, Wilhelm, Weber, Edwin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998602/
https://www.ncbi.nlm.nih.gov/pubmed/24826136
http://dx.doi.org/10.1107/S1600536814004450
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author Peukert, Max
Seichter, Wilhelm
Weber, Edwin
author_facet Peukert, Max
Seichter, Wilhelm
Weber, Edwin
author_sort Peukert, Max
collection PubMed
description An improved crystal structure of the title compound, C(6)H(6)N(2)O(3), is reported. The structure, previously solved [Li et al. (1987 ▶). Jiegou Huaxue (Chin. J. Struct. Chem.), 6, 20–24] in the ortho­rhom­bic space group Pca2(1) and refined to R = 0.067, has been solved in the ortho­rhom­bic space group Pbcm with data of enhanced quality, giving an improved structure (R = 0.0485). The mol­ecule adopts a planar conformation with all atoms lying on a mirror plane. The crystal structure is composed of mol­ecular sheets extending parallel to the ab plane and connected via C—H⋯O contacts involving ring H atoms and O atoms of the N-oxide and nitro groups, while van der Waals forces consolidate the stacking of the layers.
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spelling pubmed-39986022014-05-13 Redetermination of 2-methyl-4-nitro­pyridine N-oxide Peukert, Max Seichter, Wilhelm Weber, Edwin Acta Crystallogr Sect E Struct Rep Online Organic Papers An improved crystal structure of the title compound, C(6)H(6)N(2)O(3), is reported. The structure, previously solved [Li et al. (1987 ▶). Jiegou Huaxue (Chin. J. Struct. Chem.), 6, 20–24] in the ortho­rhom­bic space group Pca2(1) and refined to R = 0.067, has been solved in the ortho­rhom­bic space group Pbcm with data of enhanced quality, giving an improved structure (R = 0.0485). The mol­ecule adopts a planar conformation with all atoms lying on a mirror plane. The crystal structure is composed of mol­ecular sheets extending parallel to the ab plane and connected via C—H⋯O contacts involving ring H atoms and O atoms of the N-oxide and nitro groups, while van der Waals forces consolidate the stacking of the layers. International Union of Crystallography 2014-03-12 /pmc/articles/PMC3998602/ /pubmed/24826136 http://dx.doi.org/10.1107/S1600536814004450 Text en © Peukert et al. 2014 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
Peukert, Max
Seichter, Wilhelm
Weber, Edwin
Redetermination of 2-methyl-4-nitro­pyridine N-oxide
title Redetermination of 2-methyl-4-nitro­pyridine N-oxide
title_full Redetermination of 2-methyl-4-nitro­pyridine N-oxide
title_fullStr Redetermination of 2-methyl-4-nitro­pyridine N-oxide
title_full_unstemmed Redetermination of 2-methyl-4-nitro­pyridine N-oxide
title_short Redetermination of 2-methyl-4-nitro­pyridine N-oxide
title_sort redetermination of 2-methyl-4-nitro­pyridine n-oxide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998602/
https://www.ncbi.nlm.nih.gov/pubmed/24826136
http://dx.doi.org/10.1107/S1600536814004450
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