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1,1′,1′′-{[4-(3,4-Ethyl­ene­dioxy­thio­phen-2-yl)phen­yl]methane­tri­yl}tris­(1H-pyra­zole)

In the title complex, C(22)H(18)N(6)O(2)S, two of the pyrazole rings are disordered over two sets of sites with ratios of refined occupancies of 0.58 (2):0.42 (2) and 0.517 (12):0.483 (12). The dioxane ring is in a half-chair conformation and the two –CH(2)– groups of this ring are disordered over t...

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Detalles Bibliográficos
Autores principales: Chen, Xiao-Yan, Yang, Xiaoping, Holliday, Bradley J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247419/
https://www.ncbi.nlm.nih.gov/pubmed/22220037
http://dx.doi.org/10.1107/S160053681104253X
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author Chen, Xiao-Yan
Yang, Xiaoping
Holliday, Bradley J.
author_facet Chen, Xiao-Yan
Yang, Xiaoping
Holliday, Bradley J.
author_sort Chen, Xiao-Yan
collection PubMed
description In the title complex, C(22)H(18)N(6)O(2)S, two of the pyrazole rings are disordered over two sets of sites with ratios of refined occupancies of 0.58 (2):0.42 (2) and 0.517 (12):0.483 (12). The dioxane ring is in a half-chair conformation and the two –CH(2)– groups of this ring are disordered over two sets of sites, the ratio of refined occupancies being 0.855 (19):0.145 (19). The essentially planar thio­phene ring [largest deviation = 0.0444 (2) Å] forms a dihedral angle of 19.59 (3)° with the benzene ring.
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spelling pubmed-32474192012-01-04 1,1′,1′′-{[4-(3,4-Ethyl­ene­dioxy­thio­phen-2-yl)phen­yl]methane­tri­yl}tris­(1H-pyra­zole) Chen, Xiao-Yan Yang, Xiaoping Holliday, Bradley J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title complex, C(22)H(18)N(6)O(2)S, two of the pyrazole rings are disordered over two sets of sites with ratios of refined occupancies of 0.58 (2):0.42 (2) and 0.517 (12):0.483 (12). The dioxane ring is in a half-chair conformation and the two –CH(2)– groups of this ring are disordered over two sets of sites, the ratio of refined occupancies being 0.855 (19):0.145 (19). The essentially planar thio­phene ring [largest deviation = 0.0444 (2) Å] forms a dihedral angle of 19.59 (3)° with the benzene ring. International Union of Crystallography 2011-10-22 /pmc/articles/PMC3247419/ /pubmed/22220037 http://dx.doi.org/10.1107/S160053681104253X Text en © Chen 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
Chen, Xiao-Yan
Yang, Xiaoping
Holliday, Bradley J.
1,1′,1′′-{[4-(3,4-Ethyl­ene­dioxy­thio­phen-2-yl)phen­yl]methane­tri­yl}tris­(1H-pyra­zole)
title 1,1′,1′′-{[4-(3,4-Ethyl­ene­dioxy­thio­phen-2-yl)phen­yl]methane­tri­yl}tris­(1H-pyra­zole)
title_full 1,1′,1′′-{[4-(3,4-Ethyl­ene­dioxy­thio­phen-2-yl)phen­yl]methane­tri­yl}tris­(1H-pyra­zole)
title_fullStr 1,1′,1′′-{[4-(3,4-Ethyl­ene­dioxy­thio­phen-2-yl)phen­yl]methane­tri­yl}tris­(1H-pyra­zole)
title_full_unstemmed 1,1′,1′′-{[4-(3,4-Ethyl­ene­dioxy­thio­phen-2-yl)phen­yl]methane­tri­yl}tris­(1H-pyra­zole)
title_short 1,1′,1′′-{[4-(3,4-Ethyl­ene­dioxy­thio­phen-2-yl)phen­yl]methane­tri­yl}tris­(1H-pyra­zole)
title_sort 1,1′,1′′-{[4-(3,4-ethyl­ene­dioxy­thio­phen-2-yl)phen­yl]methane­tri­yl}tris­(1h-pyra­zole)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247419/
https://www.ncbi.nlm.nih.gov/pubmed/22220037
http://dx.doi.org/10.1107/S160053681104253X
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