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2,3-Bis(3-fluoro-phen-yl)tetra-zolium-5-thiol-ate.

ABSTRACT: The zwitterionic title compound, C(13)H(8)F(2)N(4)S, is situated on a twofold rotation axis running along the C-S [1.691?(2)?Å] single bond. The phenyl-ene ring is twisted out of the tetra-zolium plane by 42.18?(7)°. Relatively short distances [3.7572?(9) and 4.0625?(6)?Å] between the centroids of the phenyl-ene and tetra-zolium rings of neighbouring mol-ecules suggest ?-? inter-actions. The crystal under investigation was a non-merohedral twin, with a 33% twin component.

SUBMITTER: von Eschwege KG

PROVIDER: S-EPMC2977314 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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2,3-Bis(3-fluoro-phen-yl)tetra-zolium-5-thiol-ate.

von Eschwege Karel G KG Muller Alfred A

Acta crystallographica. Section E, Structure reports online 20090715 Pt 8

The zwitterionic title compound, C(13)H(8)F(2)N(4)S, is situated on a twofold rotation axis running along the C-S [1.691 (2) Å] single bond. The phenyl-ene ring is twisted out of the tetra-zolium plane by 42.18 (7)°. Relatively short distances [3.7572 (9) and 4.0625 (6) Å] between the centroids of the phenyl-ene and tetra-zolium rings of neighbouring mol-ecules suggest π-π inter-actions. The crystal under investigation was a non-merohedral twin, with a 33% twin component. ...[more]

PMID: 21583560

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