5,11,15,11,17,23,29-Penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F11%3A43891580" target="_blank" >RIV/60461373:22310/11:43891580 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
5,11,15,11,17,23,29-Penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate
Original language description
The title compound, tert-butylpropoxycalix[5]arene, C(70)H(100)O(5)center dot 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 ofthe 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 center dot center dot center dot O and C-H center dot center dot center dot Cl interactions occur involving the dichloromethane molecule.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CC - Organic chemistry
OECD FORD branch
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Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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