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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...

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Detalles Bibliográficos
Autores principales: Pojarová, Michaela, Dušek, Michal, Budka, Jan, Císařová, Ivana, Makrlík, Emanuel
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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
Descripción
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.