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1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane
The title molecule, C(58)H(44)N(6)S(8), has point symmetry 2 (in the Schönfliess notation C (2)). The related crystallographic twofold axis bisects the central ethane bond while it is parallel to the monoclinic unique axis of the unit cell. The dithiole=C—C=dithiole torsion angle is 103.7 (4)° and...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588842/ https://www.ncbi.nlm.nih.gov/pubmed/23468807 http://dx.doi.org/10.1107/S1600536812045254 |
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author | Mulla, Karimulla Zhao, Yuming Dawe, Louise N. |
author_facet | Mulla, Karimulla Zhao, Yuming Dawe, Louise N. |
author_sort | Mulla, Karimulla |
collection | PubMed |
description | The title molecule, C(58)H(44)N(6)S(8), has point symmetry 2 (in the Schönfliess notation C (2)). The related crystallographic twofold axis bisects the central ethane bond while it is parallel to the monoclinic unique axis of the unit cell. The dithiole=C—C=dithiole torsion angle is 103.7 (4)° and the triazole–anthracene moieties adopt a pincer-like conformation. The crystal structure features C—H⋯S and C—H⋯N contacts. The distance between the stacked anthracene fragments [centroid—centroid separations of 3.6871 (19) Å, off-set by 1.516 (3) Å and mean anthracene plane-plane separations of 3.361 (2) Å], which are parallel to (101) and (-101), indicates intermolecular anthracene–anthracene π–π contacts. One of the terminal methylsulfanyl groups was modelled as being disordered with two refined orientations that converged to occupancies of 0.809 (5) and 0.191 (5). |
format | Online Article Text |
id | pubmed-3588842 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35888422013-03-06 1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane Mulla, Karimulla Zhao, Yuming Dawe, Louise N. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title molecule, C(58)H(44)N(6)S(8), has point symmetry 2 (in the Schönfliess notation C (2)). The related crystallographic twofold axis bisects the central ethane bond while it is parallel to the monoclinic unique axis of the unit cell. The dithiole=C—C=dithiole torsion angle is 103.7 (4)° and the triazole–anthracene moieties adopt a pincer-like conformation. The crystal structure features C—H⋯S and C—H⋯N contacts. The distance between the stacked anthracene fragments [centroid—centroid separations of 3.6871 (19) Å, off-set by 1.516 (3) Å and mean anthracene plane-plane separations of 3.361 (2) Å], which are parallel to (101) and (-101), indicates intermolecular anthracene–anthracene π–π contacts. One of the terminal methylsulfanyl groups was modelled as being disordered with two refined orientations that converged to occupancies of 0.809 (5) and 0.191 (5). International Union of Crystallography 2012-11-07 /pmc/articles/PMC3588842/ /pubmed/23468807 http://dx.doi.org/10.1107/S1600536812045254 Text en © Mulla et al. 2012 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 Mulla, Karimulla Zhao, Yuming Dawe, Louise N. 1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane |
title | 1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane |
title_full | 1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane |
title_fullStr | 1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane |
title_full_unstemmed | 1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane |
title_short | 1,2-Bis{4-[1-(anthracen-9-ylmethyl)-1H-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane |
title_sort | 1,2-bis{4-[1-(anthracen-9-ylmethyl)-1h-1,2,3-triazol-4-yl]phenyl}-1,2-bis[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]ethane |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588842/ https://www.ncbi.nlm.nih.gov/pubmed/23468807 http://dx.doi.org/10.1107/S1600536812045254 |
work_keys_str_mv | AT mullakarimulla 12bis41anthracen9ylmethyl1h123triazol4ylphenyl12bis45bismethylsulfanyl13dithiol2ylideneethane AT zhaoyuming 12bis41anthracen9ylmethyl1h123triazol4ylphenyl12bis45bismethylsulfanyl13dithiol2ylideneethane AT dawelouisen 12bis41anthracen9ylmethyl1h123triazol4ylphenyl12bis45bismethylsulfanyl13dithiol2ylideneethane |