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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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. |
format | Online Article Text |
id | pubmed-3998602 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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