5,8-Dibromo-15-cyano-2,11-dithia­[3.3]paracyclo­phane

In the title compound [systematic name: 13,15-dibromo-3,10-dithia­tricyclo­[10.2.2.2(5,8)]octa­deca-1(14),5,7,12,15,17-hexa­ene-6-carbonitrile], C(17)H(13)Br(2)NS(2), the mean planes of the benzene rings are almost parallel, making a dihedral angle of 1.1 (2)°, and the distance between the ring cent...

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Detalles Bibliográficos
Autores principales: Zhang, Hua, Liu, Wenju
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239050/
https://www.ncbi.nlm.nih.gov/pubmed/22199898
http://dx.doi.org/10.1107/S1600536811048458
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author Zhang, Hua
Liu, Wenju
author_facet Zhang, Hua
Liu, Wenju
author_sort Zhang, Hua
collection PubMed
description In the title compound [systematic name: 13,15-dibromo-3,10-dithia­tricyclo­[10.2.2.2(5,8)]octa­deca-1(14),5,7,12,15,17-hexa­ene-6-carbonitrile], C(17)H(13)Br(2)NS(2), the mean planes of the benzene rings are almost parallel, making a dihedral angle of 1.1 (2)°, and the distance between the ring centroids is 3.294 (3) Å, which is shorter than the normal packing distance of aromatic rings (about 3.4 Å), indicating a strong π–π inter­action. The S atom of one bridging chain is disorderd over two positions with site occupancies of 0.605 (4) and 0.395 (4) for the major and minor components, respectively.
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spelling pubmed-32390502011-12-23 5,8-Dibromo-15-cyano-2,11-dithia­[3.3]paracyclo­phane Zhang, Hua Liu, Wenju Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound [systematic name: 13,15-dibromo-3,10-dithia­tricyclo­[10.2.2.2(5,8)]octa­deca-1(14),5,7,12,15,17-hexa­ene-6-carbonitrile], C(17)H(13)Br(2)NS(2), the mean planes of the benzene rings are almost parallel, making a dihedral angle of 1.1 (2)°, and the distance between the ring centroids is 3.294 (3) Å, which is shorter than the normal packing distance of aromatic rings (about 3.4 Å), indicating a strong π–π inter­action. The S atom of one bridging chain is disorderd over two positions with site occupancies of 0.605 (4) and 0.395 (4) for the major and minor components, respectively. International Union of Crystallography 2011-11-23 /pmc/articles/PMC3239050/ /pubmed/22199898 http://dx.doi.org/10.1107/S1600536811048458 Text en © Zhang and Liu 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
Zhang, Hua
Liu, Wenju
5,8-Dibromo-15-cyano-2,11-dithia­[3.3]paracyclo­phane
title 5,8-Dibromo-15-cyano-2,11-dithia­[3.3]paracyclo­phane
title_full 5,8-Dibromo-15-cyano-2,11-dithia­[3.3]paracyclo­phane
title_fullStr 5,8-Dibromo-15-cyano-2,11-dithia­[3.3]paracyclo­phane
title_full_unstemmed 5,8-Dibromo-15-cyano-2,11-dithia­[3.3]paracyclo­phane
title_short 5,8-Dibromo-15-cyano-2,11-dithia­[3.3]paracyclo­phane
title_sort 5,8-dibromo-15-cyano-2,11-dithia­[3.3]paracyclo­phane
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239050/
https://www.ncbi.nlm.nih.gov/pubmed/22199898
http://dx.doi.org/10.1107/S1600536811048458
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AT liuwenju 58dibromo15cyano211dithia33paracyclophane

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