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Redetermination of 2-methyl-4-nitro-pyridine N-oxide.

ABSTRACT: An improved crystal structure of the title compound, C6H6N2O3, is reported. The structure, previously solved [Li et al. (1987 ▶). Jiegou Huaxue (Chin. J. Struct. Chem.), 6, 20-24] in the ortho-rhom-bic space group Pca21 and refined to R = 0.067, has been solved in the ortho-rhom-bic space group Pbcm with data of enhanced quality, giving an improved structure (R = 0.0485). The mol-ecule adopts a planar conformation with all atoms lying on a mirror plane. The crystal structure is composed of mol-ecular 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.

SUBMITTER: Peukert M

PROVIDER: S-EPMC3998602 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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Redetermination of 2-methyl-4-nitro-pyridine N-oxide.

Peukert Max M Seichter Wilhelm W Weber Edwin E

Acta crystallographica. Section E, Structure reports online 20140312 Pt 4

An improved crystal structure of the title compound, C6H6N2O3, is reported. The structure, previously solved [Li et al. (1987 ▶). Jiegou Huaxue (Chin. J. Struct. Chem.), 6, 20-24] in the ortho-rhom-bic space group Pca21 and refined to R = 0.067, has been solved in the ortho-rhom-bic space group Pbcm with data of enhanced quality, giving an improved structure (R = 0.0485). The mol-ecule adopts a planar conformation with all atoms lying on a mirror plane. The crystal structure is composed of mol-e ...[more]

PMID: 24826136

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