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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...

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Autores principales: Mulla, Karimulla, Zhao, Yuming, Dawe, Louise N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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).
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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
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