Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate

The title compound (systematic name: 2,6-dimethyl-1H-pyridin-4-one hemihydrate), C(7)H(9)NO·0.5H(2)O, has a single planar mol­ecule in the asymmetric unit with the non-H atoms possessing a mean deviation from planarity of 0.021 Å. There is also half of a water mol­ecule present in the asymmetric uni...

Descripción completa

Detalles Bibliográficos
Autores principales: Nguyen, Dalena M., Desikan, Vasumathi, Golen, James A., Manke, David R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571382/
https://www.ncbi.nlm.nih.gov/pubmed/26396782
http://dx.doi.org/10.1107/S2056989015012402
_version_ 1782390329436012544
author Nguyen, Dalena M.
Desikan, Vasumathi
Golen, James A.
Manke, David R.
author_facet Nguyen, Dalena M.
Desikan, Vasumathi
Golen, James A.
Manke, David R.
author_sort Nguyen, Dalena M.
collection PubMed
description The title compound (systematic name: 2,6-dimethyl-1H-pyridin-4-one hemihydrate), C(7)H(9)NO·0.5H(2)O, has a single planar mol­ecule in the asymmetric unit with the non-H atoms possessing a mean deviation from planarity of 0.021 Å. There is also half of a water mol­ecule present in the asymmetric unit. In the crystal, infinite (001) sheets are formed by N—H⋯O and O—H⋯O hydrogen bonds.
format Online
Article
Text
id pubmed-4571382
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-45713822015-09-22 Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate Nguyen, Dalena M. Desikan, Vasumathi Golen, James A. Manke, David R. Acta Crystallogr E Crystallogr Commun Data Reports The title compound (systematic name: 2,6-dimethyl-1H-pyridin-4-one hemihydrate), C(7)H(9)NO·0.5H(2)O, has a single planar mol­ecule in the asymmetric unit with the non-H atoms possessing a mean deviation from planarity of 0.021 Å. There is also half of a water mol­ecule present in the asymmetric unit. In the crystal, infinite (001) sheets are formed by N—H⋯O and O—H⋯O hydrogen bonds. International Union of Crystallography 2015-07-04 /pmc/articles/PMC4571382/ /pubmed/26396782 http://dx.doi.org/10.1107/S2056989015012402 Text en © Nguyen 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
Nguyen, Dalena M.
Desikan, Vasumathi
Golen, James A.
Manke, David R.
Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate
title Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate
title_full Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate
title_fullStr Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate
title_full_unstemmed Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate
title_short Crystal structure of 2,6-dimethyl-4-pyridone hemihydrate
title_sort crystal structure of 2,6-dimethyl-4-pyridone hemihydrate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571382/
https://www.ncbi.nlm.nih.gov/pubmed/26396782
http://dx.doi.org/10.1107/S2056989015012402
work_keys_str_mv AT nguyendalenam crystalstructureof26dimethyl4pyridonehemihydrate
AT desikanvasumathi crystalstructureof26dimethyl4pyridonehemihydrate
AT golenjamesa crystalstructureof26dimethyl4pyridonehemihydrate
AT mankedavidr crystalstructureof26dimethyl4pyridonehemihydrate

Ejemplares similares