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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4645004 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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