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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3515314 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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