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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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Detalles Bibliográficos
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
Descripción
Sumario: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).