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1,3-Dicyclo-hexyl-imidazolidine-2,4,5-trione: a second polymorph.


ABSTRACT: The title compound, C(15)H(22)N(2)O(3), was obtained as a by-product of oxidative cleavage of 1,3-dicyclo-hexyl-(3-oxo-2,3-dihydro-benzofuran-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 inter-actions were found (C?O inter-molecular distance longer than 3.15?Å) and instead, close packing of individual mol-ecular units is mediated by C-H?? and weak C-H?O inter-actions.

SUBMITTER: Talhi O 

PROVIDER: S-EPMC3515314 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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1,3-Dicyclo-hexyl-imidazolidine-2,4,5-trione: a second polymorph.

Talhi Oualid O   Fernandes José A JA   Pinto Diana C G A DC   Silva Artur M S AM   Almeida Paz Filipe A FA  

Acta crystallographica. Section E, Structure reports online 20121027 Pt 11


The title compound, C(15)H(22)N(2)O(3), was obtained as a by-product of oxidative cleavage of 1,3-dicyclo-hexyl-(3-oxo-2,3-dihydro-benzofuran-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  ...[more]

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