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5,8-Dibromo-14,17-difluoro-2,11-dithia-[3.3]paracyclo-phane.

ABSTRACT: The title compound, C(16)H(12)Br(2)F(2)S(2) [systematic name: 1(2),1(5)-dibromo-5(2),5(5)-difluoro-2,7-dithia-1,5(1,4)-dibenzenaocta-phane], has two approximately parallel benzene rings with a dihedral angle of 1.53?(15)° between them and with a centroid-centroid distance of 3.3066?(18)?Å. In the crystal structure, mol-ecules are stacked along the a axis through an inter-molecular ?-? inter-action with a centroid-centroid distance of 3.7803?(18)?Å. Mol-ecules are also connected by a C-H?S inter-action, forming a chain along the b axis.

SUBMITTER: Hao X

PROVIDER: S-EPMC3007411 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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5,8-Dibromo-14,17-difluoro-2,11-dithia-[3.3]paracyclo-phane.

Hao Xiaowei X Wu Di D

Acta crystallographica. Section E, Structure reports online 20100724 Pt 8

The title compound, C(16)H(12)Br(2)F(2)S(2) [systematic name: 1(2),1(5)-dibromo-5(2),5(5)-difluoro-2,7-dithia-1,5(1,4)-dibenzenaocta-phane], has two approximately parallel benzene rings with a dihedral angle of 1.53 (15)° between them and with a centroid-centroid distance of 3.3066 (18) Å. In the crystal structure, mol-ecules are stacked along the a axis through an inter-molecular π-π inter-action with a centroid-centroid distance of 3.7803 (18) Å. Mol-ecules are also connected by a C-H⋯S inter- ...[more]

PMID: 21588409

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