Cargando…
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: | , , , , |
---|---|
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 |
_version_ | 1782199478540828672 |
---|---|
author | Pojarová, Michaela Dušek, Michal Budka, Jan Císařová, Ivana Makrlík, Emanuel |
author_facet | Pojarová, Michaela Dušek, Michal Budka, Jan Císařová, Ivana Makrlík, Emanuel |
author_sort | Pojarová, Michaela |
collection | PubMed |
description | 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. |
format | Text |
id | pubmed-3051436 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30514362011-04-26 5,11,17,23,29-Penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate Pojarová, Michaela Dušek, Michal Budka, Jan Císařová, Ivana Makrlík, Emanuel Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2011-01-08 /pmc/articles/PMC3051436/ /pubmed/21522987 http://dx.doi.org/10.1107/S1600536811000456 Text en © Pojarová et al. 2011 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 Pojarová, Michaela Dušek, Michal Budka, Jan Císařová, Ivana Makrlík, Emanuel 5,11,17,23,29-Penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate |
title | 5,11,17,23,29-Penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate |
title_full | 5,11,17,23,29-Penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate |
title_fullStr | 5,11,17,23,29-Penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate |
title_full_unstemmed | 5,11,17,23,29-Penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate |
title_short | 5,11,17,23,29-Penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate |
title_sort | 5,11,17,23,29-penta-tert-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051436/ https://www.ncbi.nlm.nih.gov/pubmed/21522987 http://dx.doi.org/10.1107/S1600536811000456 |
work_keys_str_mv | AT pojarovamichaela 511172329pentatertbutyl3132333435pentapropoxycalix5arenedichloromethanehemisolvate AT dusekmichal 511172329pentatertbutyl3132333435pentapropoxycalix5arenedichloromethanehemisolvate AT budkajan 511172329pentatertbutyl3132333435pentapropoxycalix5arenedichloromethanehemisolvate AT cisarovaivana 511172329pentatertbutyl3132333435pentapropoxycalix5arenedichloromethanehemisolvate AT makrlikemanuel 511172329pentatertbutyl3132333435pentapropoxycalix5arenedichloromethanehemisolvate |