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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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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. |
format | Online Article Text |
id | pubmed-3247419 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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