Crystal and molecular structure of 4-cyanopyridine-N-oxide

Crystals of 4-cyanopyridine-N-oxide crystallize in space groupP2₁/c (No. 14). There are four molecules per unit cell, witha = 7.88(2),b = 6.10(2),c =11.61(3) Å and =101.4(4) °. Data for 838 unique reflections were recorded using the multiple-film technique and visually estimated intensities. A three-dimensional least-squares refinement of the structure was carried out to a final conventionalR of 0.098. It was found that the molecule was planar, as expected, and that the centrosymmetric pairs were stacked parallel to each other, as viewed down thea-axis. Bond distances and angles are in agreement with those from comparable molecules.