9-(Dicyanomethylidene)fluorene–tetrathiafulvalene (1/1)

Amparo Salmerón-Valverde,Sylvain Bernès

doi:10.1107/s1600536812008124

Abstract

The title compound, C16H8N2·C6H4S4, crystallizes with the fluorene derivative placed in a general position and two half tetrathiafulvalene (TTF) molecules, each completed to a whole molecule through an inversion center. The fluorene ring system is virtually planar (r.m.s. deviation from the mean plane = 0.027 Å) and the dicyano group is twisted from the fluorene plane by only 3.85 (12)°. The TTF molecules are also planar, and their central C=C bond lengths [1.351 (8) and 1.324 (7) Å] compare well with the same bond length in neutral TTF (ca 1.35 Å). These features indicate that no charge transfer occurs between molecules in the crystal; the compound should thus be considered a cocrystal rather than an organic complex. This is confirmed by the crystal structure, in which no significant stacking interactions are observed between molecules.

Highlights

The title compound, C16H8N2C6H4S4, crystallizes with the fluorene derivative placed in a general position and two half tetrathiafulvalene (TTF) molecules, each completed to a whole molecule through an inversion center
The fluorene ring system is virtually planar (r.m.s. deviation from the mean plane = 0.027 Å) and the dicyano group is twisted from the fluorene plane by only 3.85 (12)
1.324 (7) Å] compare well with the same bond length in neutral TTF. These features indicate that no charge transfer occurs between molecules in the crystal; the compound should be considered a cocrystal rather than an organic complex. This is confirmed by the crystal structure, in which no significant stacking interactions are observed between molecules

Summary

Data collection

Centro de Quımica del Instituto de Ciencias, Benemérita Universidad Autónoma de Puebla, Ciudad Universitaria, San Manuel, 72570 Puebla, Pue., Mexico, and bDEP.

Refinement a

Related literature

Mo K radiation

Graphite monochromator