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5,11,17,23,29-Penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate
The title compound, tert-butylpropoxycalix[5]arene, C(70)H(100)O(5)·0.5CH(2)Cl(2), crystallizes as a solvate with two molecules of calix[5]arene in 1,2-alternate conformations and one molecule of dichloromethane in the asymmetric unit. One tert-butyl group in one of the molecules and two in the...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051436/ https://www.ncbi.nlm.nih.gov/pubmed/21522987 http://dx.doi.org/10.1107/S1600536811000456 |
Sumario: | The title compound, tert-butylpropoxycalix[5]arene, C(70)H(100)O(5)·0.5CH(2)Cl(2), crystallizes as a solvate with two molecules of calix[5]arene in 1,2-alternate conformations and one molecule of dichloromethane in the asymmetric unit. One tert-butyl group in one of the molecules and two in the other are disordered over two positions with occupancy factors fixed at 0.5917:0.4083, 0.5901:0.4099 and 0.8535:0.1465, respectively, in the final refinement. The C atoms of a propoxy group in each of the molecules are also disordered over two positions with occupancies of 0.7372:0.2628 and 0.5027:0.4973. The molecules form intramolecular hydrogen bonds between propoxy O atoms and an adjacent CH(2) group in a neighbouring propoxy chain. In the crystal, intermolecular C—H⋯O and C—H⋯Cl interactions occur involving the dichloromethane molecule. |
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