J. Hanuza, M. Ma̧czka, A. Waśkowska
Sep 1, 1998
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Influential Citations
27
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Journal
Journal of Molecular Structure
Abstract
Abstract The crystal structure of 2,6-dimethyl-4-nitropyridine N-oxide (DMNPO) has been determined at ambient temperature. The compound crystallizes as a monoclinic structure, space group P2/n, with 12 molecules per unit cell. The unit cell contains three non-equivalent formula units. The nitro group is not coplanar with the pyridine ring. Through a system of C–H⋯O hydrogen bonds the molecules are arranged into a two-dimensional network of layers parallel to the axc plane. The IR and Raman spectra, measured in the 3500–100 cm−1 region at ambient temperature, are correlated with X-ray structural data. The assignment of IR and Raman bands is given. The appearance of characteristic vibrational features in the spectra of this compound and the observed shifts of the C–H and N–O IR active stretching modes, when the sample is dissolved in CCl4, is discussed in terms of the relatively strong C–H⋯O hydrogen bonds present in this crystal.