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Crystal structure of 3-bromo-pyridine N-oxide.

Hutchinson MG, Lynch WE, Padgett CW - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The bromo group on one mol-ecule points to the bromo group on the neighboring mol-ecule, with a Br⋯Br inter-molecular 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 inter-actions.

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Affiliation: Department of Chemistry and Physics, Armstrong State University, Savannah, GA 31419, USA.

ABSTRACT
In the title compound, C5H4BrNO, there are two mol-ecules in the asymmetric unit that are related by a pseudo-inversion center. The two independent mol-ecules 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 mol-ecules make a plane-plane angle of 66.69 (10)°, which makes the bend of the herringbone pattern. The bromo group on one mol-ecule points to the bromo group on the neighboring mol-ecule, with a Br⋯Br inter-molecular 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 inter-actions.

No MeSH data available.


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The asymmetric unit of the title compound. Displacement ellipsoids are drawn at the 50% probability level.
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Fap1: The asymmetric unit of the title compound. Displacement ellipsoids are drawn at the 50% probability level.


Crystal structure of 3-bromo-pyridine N-oxide.

Hutchinson MG, Lynch WE, Padgett CW - Acta Crystallogr E Crystallogr Commun (2015)

The asymmetric unit of the title compound. Displacement ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645004&req=5

Fap1: The asymmetric unit of the title compound. Displacement ellipsoids are drawn at the 50% probability level.
Bottom Line: The bromo group on one mol-ecule points to the bromo group on the neighboring mol-ecule, with a Br⋯Br inter-molecular 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 inter-actions.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry and Physics, Armstrong State University, Savannah, GA 31419, USA.

ABSTRACT
In the title compound, C5H4BrNO, there are two mol-ecules in the asymmetric unit that are related by a pseudo-inversion center. The two independent mol-ecules 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 mol-ecules make a plane-plane angle of 66.69 (10)°, which makes the bend of the herringbone pattern. The bromo group on one mol-ecule points to the bromo group on the neighboring mol-ecule, with a Br⋯Br inter-molecular 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 inter-actions.

No MeSH data available.


Related in: MedlinePlus