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1(2,3),2(3,2),3(2,3),4(3,2)-Tetra-kis(1-benzothio-phena)cyclo-tetra-phane benzene sesquisolvate.

ABSTRACT: In the title compound, C(32)H(16)S(4)·1.5C(6)H(6), the substituted cyclo-octa-tetra-ene (COT) ring compound has approximate local D(2) point symmetry of the so-called 'saddle' form: the dihedral angles between neighboring benzo[b]thio-phene units are 61.33?(4), 61.61?(4), 56.443?(14) and 58.32?(4)°. The short distance [3.545?(1)?Å] between an S atom and the centroid of a benzene ring in a neighboring mol-ecule may indicate S?? inter-actions in the crystal.

SUBMITTER: Wang ZH

PROVIDER: S-EPMC2977466 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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1(2,3),2(3,2),3(2,3),4(3,2)-Tetra-kis(1-benzothio-phena)cyclo-tetra-phane benzene sesquisolvate.

Wang Zhi-Hua ZH Shi Jian-Wu JW Zhu Sheng S Wang Hua H

Acta crystallographica. Section E, Structure reports online 20090711 Pt 8

In the title compound, C(32)H(16)S(4)·1.5C(6)H(6), the substituted cyclo-octa-tetra-ene (COT) ring compound has approximate local D(2) point symmetry of the so-called 'saddle' form: the dihedral angles between neighboring benzo[b]thio-phene units are 61.33 (4), 61.61 (4), 56.443 (14) and 58.32 (4)°. The short distance [3.545 (1) Å] between an S atom and the centroid of a benzene ring in a neighboring mol-ecule may indicate S⋯π inter-actions in the crystal. ...[more]

PMID: 21583541

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