Journal
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Volume 74, Issue -, Pages 539-+Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2056989018004516
Keywords
crystal structure; triarylmethanol; xtrityl radical; EPR; spin label
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Funding
- Deutsche Forschungsgemeinschaft [CRC813]
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The title compound, a triarylmethanol, C46H64OS12Si3 1, was synthesized via lithiation of tris-2,2,6,6-tetramethylbenzo[1,2-d; 4,5-d']bis[1,3]dithiol-4-yl-methanol, 2, and electrophilic quenching with trimethylsilyl chloride. The current crystal structure reveals information about the reactivity of this compound and compares well with the structure reported for the unsubstituted parent compound 2 [Driesschaert et al. (2012). Eur. J. Org. Chem. 33, 6517-6525]. The title compound 1 forms molecular propellers and crystallizes in P (1) over bar, featuring an unusually long Si-C-ar bond of 1.910 (3) angstrom. Moreover, the geometry at the central quaternary carbon is rather trigonal-pyramidal than tetrahedral due to vast intramolecular stress. One trimethylsilyl group is disordered over two positions in a 0.504 (4):0.496 (4) ratio and one S atom is disordered over two positions in a 0.509 (7):0.491 (7) ratio. The contribution of disordered diethyl ether solvent molecule(s) was removed using the PLATON SQUEEZE (Spek, 2015) solvent masking procedure. These solvent molecules are not considered in the given chemical formula and other crystal data.
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