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Crystal structure of 3-bromo­pyridine N-oxide

In the title compound, C(5)H(4)BrNO, 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...

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Autores principales: Hutchinson, Matthew G., Lynch, Will E., Padgett, Clifford W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645004/
https://www.ncbi.nlm.nih.gov/pubmed/26594570
http://dx.doi.org/10.1107/S205698901501909X
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author Hutchinson, Matthew G.
Lynch, Will E.
Padgett, Clifford W.
author_facet Hutchinson, Matthew G.
Lynch, Will E.
Padgett, Clifford W.
author_sort Hutchinson, Matthew G.
collection PubMed
description In the title compound, C(5)H(4)BrNO, 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.
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spelling pubmed-46450042015-11-20 Crystal structure of 3-bromo­pyridine N-oxide Hutchinson, Matthew G. Lynch, Will E. Padgett, Clifford W. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(5)H(4)BrNO, 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. International Union of Crystallography 2015-10-24 /pmc/articles/PMC4645004/ /pubmed/26594570 http://dx.doi.org/10.1107/S205698901501909X Text en © Hutchinson et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Hutchinson, Matthew G.
Lynch, Will E.
Padgett, Clifford W.
Crystal structure of 3-bromo­pyridine N-oxide
title Crystal structure of 3-bromo­pyridine N-oxide
title_full Crystal structure of 3-bromo­pyridine N-oxide
title_fullStr Crystal structure of 3-bromo­pyridine N-oxide
title_full_unstemmed Crystal structure of 3-bromo­pyridine N-oxide
title_short Crystal structure of 3-bromo­pyridine N-oxide
title_sort crystal structure of 3-bromo­pyridine n-oxide
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645004/
https://www.ncbi.nlm.nih.gov/pubmed/26594570
http://dx.doi.org/10.1107/S205698901501909X
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