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.
Highlights
C5H4BrNO, there are two molecules in the asymmetric unit that are related by a pseudo-inversion center
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
Summary
C5H4BrNO, there are two molecules in the asymmetric unit that are related by a pseudo-inversion center. Received 23 September 2015; accepted 9 October 2015 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.
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