Crystal structure of 3,5-di­methyl­pyridine N-oxide dihydrate

In the title compound, also known as 3,5-lutidine N-oxide dihydrate, C(7)H(9)NO·2H(2)O, the N—O bond is weakened due to the involvement of the O atom as an acceptor of hydrogen bonds from the two water mol­ecules of crystallization present in the asymmetric unit. Fused R (3) (5)(10) ring motifs base...

Descripción completa

Detalles Bibliográficos
Autores principales: Merino García, Rosario, Ríos-Merino, Francisco Javier, Bernès, Sylvain, Reyes-Ortega, Yasmi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137588/
https://www.ncbi.nlm.nih.gov/pubmed/27980810
http://dx.doi.org/10.1107/S205698901601687X
_version_ 1782471940899864576
author Merino García, Rosario
Ríos-Merino, Francisco Javier
Bernès, Sylvain
Reyes-Ortega, Yasmi
author_facet Merino García, Rosario
Ríos-Merino, Francisco Javier
Bernès, Sylvain
Reyes-Ortega, Yasmi
author_sort Merino García, Rosario
collection PubMed
description In the title compound, also known as 3,5-lutidine N-oxide dihydrate, C(7)H(9)NO·2H(2)O, the N—O bond is weakened due to the involvement of the O atom as an acceptor of hydrogen bonds from the two water mol­ecules of crystallization present in the asymmetric unit. Fused R (3) (5)(10) ring motifs based on O—H⋯O hydrogen bonds form chains in the [010] direction, which are further connected by weak C—H⋯O inter­molecular contacts. As a result, the lutidine mol­ecules are stacked in an efficient manner, with π–π contacts characterized by a short separation of 3.569 (1) Å between the benzene rings.
format Online
Article
Text
id pubmed-5137588
institution National Center for Biotechnology Information
language English
publishDate 2016
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-51375882016-12-15 Crystal structure of 3,5-di­methyl­pyridine N-oxide dihydrate Merino García, Rosario Ríos-Merino, Francisco Javier Bernès, Sylvain Reyes-Ortega, Yasmi Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, also known as 3,5-lutidine N-oxide dihydrate, C(7)H(9)NO·2H(2)O, the N—O bond is weakened due to the involvement of the O atom as an acceptor of hydrogen bonds from the two water mol­ecules of crystallization present in the asymmetric unit. Fused R (3) (5)(10) ring motifs based on O—H⋯O hydrogen bonds form chains in the [010] direction, which are further connected by weak C—H⋯O inter­molecular contacts. As a result, the lutidine mol­ecules are stacked in an efficient manner, with π–π contacts characterized by a short separation of 3.569 (1) Å between the benzene rings. International Union of Crystallography 2016-11-01 /pmc/articles/PMC5137588/ /pubmed/27980810 http://dx.doi.org/10.1107/S205698901601687X Text en © Merino García et al. 2016 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 Research Communications
Merino García, Rosario
Ríos-Merino, Francisco Javier
Bernès, Sylvain
Reyes-Ortega, Yasmi
Crystal structure of 3,5-di­methyl­pyridine N-oxide dihydrate
title Crystal structure of 3,5-di­methyl­pyridine N-oxide dihydrate
title_full Crystal structure of 3,5-di­methyl­pyridine N-oxide dihydrate
title_fullStr Crystal structure of 3,5-di­methyl­pyridine N-oxide dihydrate
title_full_unstemmed Crystal structure of 3,5-di­methyl­pyridine N-oxide dihydrate
title_short Crystal structure of 3,5-di­methyl­pyridine N-oxide dihydrate
title_sort crystal structure of 3,5-di­methyl­pyridine n-oxide dihydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137588/
https://www.ncbi.nlm.nih.gov/pubmed/27980810
http://dx.doi.org/10.1107/S205698901601687X
work_keys_str_mv AT merinogarciarosario crystalstructureof35dimethylpyridinenoxidedihydrate
AT riosmerinofranciscojavier crystalstructureof35dimethylpyridinenoxidedihydrate
AT bernessylvain crystalstructureof35dimethylpyridinenoxidedihydrate
AT reyesortegayasmi crystalstructureof35dimethylpyridinenoxidedihydrate

Ejemplares similares