Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 9 (September 2012)

organic compounds

Acta Cryst. (2012). E68, o2805    [ doi:10.1107/S1600536812036690 ]

Redetermination of 4-cyano­pyridine N-oxide

R. Moreno-Fuquen, C. Arana and C. A. De Simone

Abstract: In the title pyridine N-oxide derivative, C6H4N2O, the 4-cyano substituent almost lies in the mean plane of the pyridine ring (r.m.s deviation of all non-H atoms = 0.004 Å). This redetermination results in a crystal structure with significantly higher precision [N-O bond length is 1.2997 (15) compared with 1.303 (5) Å in the original] than the original determination, which was recorded using the multiple-film technique and visually estimated intensities [Hardcastle et al. (1974). J. Cryst. Mol. Struct. 4, 305-311]. The crystal structure features weak C-H...O and C-H...N inter­actions, which lead to the formation of chains that inter­sect each other parallel to (001).

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