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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 |
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. |
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