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

Acta crystallographica. Section E, Structure reports online (2014-05-16)
Max Peukert, Wilhelm Seichter, Edwin Weber
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.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
2-Methyl-4-nitropyridine N-oxide, 97%