Redetermination of 4-cyano­pyridine N-oxide

In the title pyridine N-oxide derivative, C(6)H(4)N(2)O, the 4-cyano substituent almost lies in the mean plane of the pyridine ring (r.m.s deviation of all non-H atoms = 0.004 Å). This redetermination results in a crystal structure with significantly higher precision [N—O bond length is 1.2997 (15)...

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Autores principales: Moreno-Fuquen, Rodolfo, Arana, Carolina, De Simone, Carlos A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435831/
https://www.ncbi.nlm.nih.gov/pubmed/22969677
http://dx.doi.org/10.1107/S1600536812036690
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author Moreno-Fuquen, Rodolfo
Arana, Carolina
De Simone, Carlos A.
author_facet Moreno-Fuquen, Rodolfo
Arana, Carolina
De Simone, Carlos A.
author_sort Moreno-Fuquen, Rodolfo
collection PubMed
description In the title pyridine N-oxide derivative, C(6)H(4)N(2)O, the 4-cyano substituent almost lies in the mean plane of the pyridine ring (r.m.s deviation of all non-H atoms = 0.004 Å). This redetermination results in a crystal structure with significantly higher precision [N—O bond length is 1.2997 (15) compared with 1.303 (5) Å in the original] than the original determination, which was recorded using the multiple-film technique and visually estimated intensities [Hardcastle et al. (1974 ▶). J. Cryst. Mol. Struct. 4, 305–311]. The crystal structure features weak C—H⋯O and C—H⋯N inter­actions, which lead to the formation of chains that inter­sect each other parallel to (001).
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spelling pubmed-34358312012-09-11 Redetermination of 4-cyano­pyridine N-oxide Moreno-Fuquen, Rodolfo Arana, Carolina De Simone, Carlos A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title pyridine N-oxide derivative, C(6)H(4)N(2)O, the 4-cyano substituent almost lies in the mean plane of the pyridine ring (r.m.s deviation of all non-H atoms = 0.004 Å). This redetermination results in a crystal structure with significantly higher precision [N—O bond length is 1.2997 (15) compared with 1.303 (5) Å in the original] than the original determination, which was recorded using the multiple-film technique and visually estimated intensities [Hardcastle et al. (1974 ▶). J. Cryst. Mol. Struct. 4, 305–311]. The crystal structure features weak C—H⋯O and C—H⋯N inter­actions, which lead to the formation of chains that inter­sect each other parallel to (001). International Union of Crystallography 2012-08-31 /pmc/articles/PMC3435831/ /pubmed/22969677 http://dx.doi.org/10.1107/S1600536812036690 Text en © Moreno-Fuquen et al. 2012 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 Organic Papers
Moreno-Fuquen, Rodolfo
Arana, Carolina
De Simone, Carlos A.
Redetermination of 4-cyano­pyridine N-oxide
title Redetermination of 4-cyano­pyridine N-oxide
title_full Redetermination of 4-cyano­pyridine N-oxide
title_fullStr Redetermination of 4-cyano­pyridine N-oxide
title_full_unstemmed Redetermination of 4-cyano­pyridine N-oxide
title_short Redetermination of 4-cyano­pyridine N-oxide
title_sort redetermination of 4-cyano­pyridine n-oxide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435831/
https://www.ncbi.nlm.nih.gov/pubmed/22969677
http://dx.doi.org/10.1107/S1600536812036690
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