Crystal structure of 2,2-di­chloro-1-(piperidin-1-yl)butane-1,3-dione

In the title compound, C(9)H(13)Cl(2)NO(2), the piperidine ring shows a chair conformation and the O—C—C—O torsion angle between the carbonyl groups is 183.6 (4)°. In the crystal, mol­ecules are linked into an infinite layer along the ab plane by a bifurcated C—H⋯O hydrogen bond between the carbonyl...

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Detalles Bibliográficos
Autores principales: Schwierz, Markus, Görls, Helmar, Imhof, Wolfgang
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/PMC4331874/
https://www.ncbi.nlm.nih.gov/pubmed/25705483
http://dx.doi.org/10.1107/S2056989014026164
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author Schwierz, Markus
Görls, Helmar
Imhof, Wolfgang
author_facet Schwierz, Markus
Görls, Helmar
Imhof, Wolfgang
author_sort Schwierz, Markus
collection PubMed
description In the title compound, C(9)H(13)Cl(2)NO(2), the piperidine ring shows a chair conformation and the O—C—C—O torsion angle between the carbonyl groups is 183.6 (4)°. In the crystal, mol­ecules are linked into an infinite layer along the ab plane by a bifurcated C—H⋯O hydrogen bond between the carbonyl O atom adjacent to the methyl group and one of the methyl­ene groups next to nitro­gen and an additional hydrogen bond of the C—H⋯Cl type. These layers are connected into a three-dimensional supra­molecular arrangement by O⋯Cl contacts [2.8979 (12) and 3.1300 (12) Å].
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spelling pubmed-43318742015-02-20 Crystal structure of 2,2-di­chloro-1-(piperidin-1-yl)butane-1,3-dione Schwierz, Markus Görls, Helmar Imhof, Wolfgang Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(9)H(13)Cl(2)NO(2), the piperidine ring shows a chair conformation and the O—C—C—O torsion angle between the carbonyl groups is 183.6 (4)°. In the crystal, mol­ecules are linked into an infinite layer along the ab plane by a bifurcated C—H⋯O hydrogen bond between the carbonyl O atom adjacent to the methyl group and one of the methyl­ene groups next to nitro­gen and an additional hydrogen bond of the C—H⋯Cl type. These layers are connected into a three-dimensional supra­molecular arrangement by O⋯Cl contacts [2.8979 (12) and 3.1300 (12) Å]. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331874/ /pubmed/25705483 http://dx.doi.org/10.1107/S2056989014026164 Text en © Schwierz 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
Schwierz, Markus
Görls, Helmar
Imhof, Wolfgang
Crystal structure of 2,2-di­chloro-1-(piperidin-1-yl)butane-1,3-dione
title Crystal structure of 2,2-di­chloro-1-(piperidin-1-yl)butane-1,3-dione
title_full Crystal structure of 2,2-di­chloro-1-(piperidin-1-yl)butane-1,3-dione
title_fullStr Crystal structure of 2,2-di­chloro-1-(piperidin-1-yl)butane-1,3-dione
title_full_unstemmed Crystal structure of 2,2-di­chloro-1-(piperidin-1-yl)butane-1,3-dione
title_short Crystal structure of 2,2-di­chloro-1-(piperidin-1-yl)butane-1,3-dione
title_sort crystal structure of 2,2-di­chloro-1-(piperidin-1-yl)butane-1,3-dione
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331874/
https://www.ncbi.nlm.nih.gov/pubmed/25705483
http://dx.doi.org/10.1107/S2056989014026164
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