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1,3-Dicyclo­hexyl­imidazolidine-2,4,5-trione: a second polymorph

The title compound, C(15)H(22)N(2)O(3), was obtained as a by-product of oxidative cleavage of 1,3-dicyclo­hexyl-(3-oxo-2,3-dihydro­benzofuran-2-yl)imidazolidine-2,4-dione. Herein, we report the crystal structure of a second polymorph, which was obtained by crystallization from an ethanol solution at...

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Detalles Bibliográficos
Autores principales: Talhi, Oualid, Fernandes, José A., Pinto, Diana C. G. A., Silva, Artur M. S., Almeida Paz, Filipe A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515314/
https://www.ncbi.nlm.nih.gov/pubmed/23284534
http://dx.doi.org/10.1107/S1600536812043619
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author Talhi, Oualid
Fernandes, José A.
Pinto, Diana C. G. A.
Silva, Artur M. S.
Almeida Paz, Filipe A.
author_facet Talhi, Oualid
Fernandes, José A.
Pinto, Diana C. G. A.
Silva, Artur M. S.
Almeida Paz, Filipe A.
author_sort Talhi, Oualid
collection PubMed
description The title compound, C(15)H(22)N(2)O(3), was obtained as a by-product of oxidative cleavage of 1,3-dicyclo­hexyl-(3-oxo-2,3-dihydro­benzofuran-2-yl)imidazolidine-2,4-dione. Herein, we report the crystal structure of a second polymorph, which was obtained by crystallization from an ethanol solution at 253 K, instead of slow evaporation of the same solvent at room temperature. While the first polymorph [Talhi et al. (2011). Acta Cryst. E67, o3243] crystallized in the non-centrosymmetric space group P2(1)2(1)2(1), this second polymorph crystallizes in the centrosymmetric space group P2(1)/n. Compared to the first polymorph, in the crystal no C=O⋯C=O inter­actions were found (C⋯O inter­molecular distance longer than 3.15 Å) and instead, close packing of individual mol­ecular units is mediated by C—H⋯π and weak C—H⋯O inter­actions.
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spelling pubmed-35153142013-01-02 1,3-Dicyclo­hexyl­imidazolidine-2,4,5-trione: a second polymorph Talhi, Oualid Fernandes, José A. Pinto, Diana C. G. A. Silva, Artur M. S. Almeida Paz, Filipe A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(22)N(2)O(3), was obtained as a by-product of oxidative cleavage of 1,3-dicyclo­hexyl-(3-oxo-2,3-dihydro­benzofuran-2-yl)imidazolidine-2,4-dione. Herein, we report the crystal structure of a second polymorph, which was obtained by crystallization from an ethanol solution at 253 K, instead of slow evaporation of the same solvent at room temperature. While the first polymorph [Talhi et al. (2011). Acta Cryst. E67, o3243] crystallized in the non-centrosymmetric space group P2(1)2(1)2(1), this second polymorph crystallizes in the centrosymmetric space group P2(1)/n. Compared to the first polymorph, in the crystal no C=O⋯C=O inter­actions were found (C⋯O inter­molecular distance longer than 3.15 Å) and instead, close packing of individual mol­ecular units is mediated by C—H⋯π and weak C—H⋯O inter­actions. International Union of Crystallography 2012-10-27 /pmc/articles/PMC3515314/ /pubmed/23284534 http://dx.doi.org/10.1107/S1600536812043619 Text en © Talhi 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
Talhi, Oualid
Fernandes, José A.
Pinto, Diana C. G. A.
Silva, Artur M. S.
Almeida Paz, Filipe A.
1,3-Dicyclo­hexyl­imidazolidine-2,4,5-trione: a second polymorph
title 1,3-Dicyclo­hexyl­imidazolidine-2,4,5-trione: a second polymorph
title_full 1,3-Dicyclo­hexyl­imidazolidine-2,4,5-trione: a second polymorph
title_fullStr 1,3-Dicyclo­hexyl­imidazolidine-2,4,5-trione: a second polymorph
title_full_unstemmed 1,3-Dicyclo­hexyl­imidazolidine-2,4,5-trione: a second polymorph
title_short 1,3-Dicyclo­hexyl­imidazolidine-2,4,5-trione: a second polymorph
title_sort 1,3-dicyclo­hexyl­imidazolidine-2,4,5-trione: a second polymorph
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515314/
https://www.ncbi.nlm.nih.gov/pubmed/23284534
http://dx.doi.org/10.1107/S1600536812043619
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