25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene dichloromethane monosolvate
The title compound, C51H48N2O7, was synthesized by the reaction of 25,27-(3,6,9-trioxaundecane-1,11-dioxy)-26,28-(3-phenyl)-3-azapentane-1,5-dioxy)calix[4]arene with tetracyanoethylene in dry DMF. The compound has a 1,3-alternate conformation with an oxo-crown-5 unit and an aza-crown-3 unit with a n...
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International Union of Crystallography
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doaj-6f6f30c02a064fd3b86c6c6357ca284c2020-11-25T00:03:48ZengInternational Union of CrystallographyIUCrData2414-31462019-01-0141x19002610.1107/S2414314619000269sj420025,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene dichloromethane monosolvateJae Myoung Lee0Sung Baek Kim1Wonbo Sim2Jai Young Lee3Department of Chemistry, Konyang University, Nonsan 32992, Republic of KoreaCollege of Liberal Arts, Konyang University, Daejeon 35365, Republic of KoreaDepartment of Chemistry, Konyang University, Nonsan 32992, Republic of KoreaDepartment of Disaster Safety & Fire Fighting, Konyang Cyber University, Daejeon 35365, Republic of KoreaThe title compound, C51H48N2O7, was synthesized by the reaction of 25,27-(3,6,9-trioxaundecane-1,11-dioxy)-26,28-(3-phenyl)-3-azapentane-1,5-dioxy)calix[4]arene with tetracyanoethylene in dry DMF. The compound has a 1,3-alternate conformation with an oxo-crown-5 unit and an aza-crown-3 unit with a nitrogen atom connecting tricyanoethylenephenyl group as a chromophore. Pairs of benzene rings of the calixarene are facing one another. Three of the four oxygen atoms connected to a benzene have endo-conformations while the other is exo. The oxo-crown-5 system has a t–g–g–t conformation. The dichloromethane solvent molecule is linked to the main molecule by a C—H...Cl hydrogen bond. In the crystal, C—H...O, C—H...Cl hydrogen bonds and C—H...π(ring) interactions are observed.http://scripts.iucr.org/cgi-bin/paper?S2414314619000269crystal structurecalix[4]arenecrown ether1,3-alternate conformationhydrogen bondsC—H...π(ring) interactions |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Jae Myoung Lee Sung Baek Kim Wonbo Sim Jai Young Lee |
spellingShingle |
Jae Myoung Lee Sung Baek Kim Wonbo Sim Jai Young Lee 25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene dichloromethane monosolvate IUCrData crystal structure calix[4]arene crown ether 1,3-alternate conformation hydrogen bonds C—H...π(ring) interactions |
author_facet |
Jae Myoung Lee Sung Baek Kim Wonbo Sim Jai Young Lee |
author_sort |
Jae Myoung Lee |
title |
25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene dichloromethane monosolvate |
title_short |
25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene dichloromethane monosolvate |
title_full |
25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene dichloromethane monosolvate |
title_fullStr |
25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene dichloromethane monosolvate |
title_full_unstemmed |
25,27-(3,6,9-Trioxaundecane-1,11-dioxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene dichloromethane monosolvate |
title_sort |
25,27-(3,6,9-trioxaundecane-1,11-dioxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene dichloromethane monosolvate |
publisher |
International Union of Crystallography |
series |
IUCrData |
issn |
2414-3146 |
publishDate |
2019-01-01 |
description |
The title compound, C51H48N2O7, was synthesized by the reaction of 25,27-(3,6,9-trioxaundecane-1,11-dioxy)-26,28-(3-phenyl)-3-azapentane-1,5-dioxy)calix[4]arene with tetracyanoethylene in dry DMF. The compound has a 1,3-alternate conformation with an oxo-crown-5 unit and an aza-crown-3 unit with a nitrogen atom connecting tricyanoethylenephenyl group as a chromophore. Pairs of benzene rings of the calixarene are facing one another. Three of the four oxygen atoms connected to a benzene have endo-conformations while the other is exo. The oxo-crown-5 system has a t–g–g–t conformation. The dichloromethane solvent molecule is linked to the main molecule by a C—H...Cl hydrogen bond. In the crystal, C—H...O, C—H...Cl hydrogen bonds and C—H...π(ring) interactions are observed. |
topic |
crystal structure calix[4]arene crown ether 1,3-alternate conformation hydrogen bonds C—H...π(ring) interactions |
url |
http://scripts.iucr.org/cgi-bin/paper?S2414314619000269 |
work_keys_str_mv |
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