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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
Descripción
Sumario: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.