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5,8-Dibromo-15-cyano-2,11-dithia-[3.3]paracyclo-phane.

ABSTRACT: IN THE TITLE COMPOUND [SYSTEMATIC NAME: 13,15-dibromo-3,10-dithia-tricyclo-[10.2.2.2(5,8)]octa-deca-1(14),5,7,12,15,17-hexa-ene-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 ?-? inter-action. 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.

SUBMITTER: Zhang H

PROVIDER: S-EPMC3239050 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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5,8-Dibromo-15-cyano-2,11-dithia-[3.3]paracyclo-phane.

Zhang Hua H Liu Wenju W

Acta crystallographica. Section E, Structure reports online 20111123 Pt 12

IN THE TITLE COMPOUND [SYSTEMATIC NAME: 13,15-dibromo-3,10-dithia-tricyclo-[10.2.2.2(5,8)]octa-deca-1(14),5,7,12,15,17-hexa-ene-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 inter-action. The S atom of one bridging chain is disorderd over two po ...[more]

PMID: 22199898

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