Crystal structure of 3-bromopyridine N-oxide

Abstract

In the title compound, C5H4BrNO, there are two molecules in the asymmetric unit that are related by a pseudo-inversion center. The two independent molecules are approximately planar, with an observed (ring–ring) angle of 5.49 (13)°. The crystal structure exhibits a herringbone pattern with the zigzag running along the b-axis direction. The least-squares plane containing the rings of both asymmetric molecules and the plane containing the symmetrically related molecules make a plane–plane angle of 66.69 (10)°, which makes the bend of the herringbone pattern. The bromo group on one molecule points to the bromo group on the neighboring molecule, with a Br...Br intermolecular distance of 4.0408 (16) Å. The herringbone layer-to-layer distance is 3.431 (4) Å with a shift of 1.742 (7) Å. There are no short contacts, hydrogen bonds, or π–π interactions.

Keywords

• crystal structure
• 3-bromopyridine N-oxide
• herringbone pattern