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9,9-Dimethyl-9-silafluorene.

Jan Mewes¹, Hans-Wolfram Lerner, Michael Bolte

¹Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt/Main, Germany.

Acta Crystallographica. Section E, Structure Reports Online

|May 18, 2011

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This study details the crystal structure of a silafluorene derivative. The research highlights strained five-membered rings and unique silicon-carbon bond lengths within the molecule.

Area of Science:

Organosilicon Chemistry
Crystallography
Organic Chemistry

Background:

Silafluorene derivatives are organosilicon compounds with potential applications in materials science.
Understanding the precise molecular geometry and bonding in these compounds is crucial for predicting their properties.

Purpose of the Study:

To elucidate the crystal structure of a specific C(14)H(14)Si compound.
To analyze the bond lengths, bond angles, and planarity of the silafluorene moiety.

Main Methods:

Single-crystal X-ray diffraction was employed to determine the molecular structure.
Analysis of crystallographic data provided precise measurements of atomic positions and bond parameters.

Main Results:

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The compound crystallizes with two nearly identical molecules in the asymmetric unit.

The silafluorene core exhibits near planarity, with minor deviations.

Significant differences were observed between Si-C(methyl) and Si-C(aromatic) bond lengths.

The five-membered ring displays considerable strain, evidenced by reduced endocyclic C-Si-C bond angles.

Conclusions:

The crystal structure reveals specific geometric constraints within the silafluorene framework.
The observed bond lengths and angles provide insights into the electronic and steric properties of the title compound.
This detailed structural information is valuable for computational modeling and the design of related organosilicon materials.