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Conformational diversity: Six conformers side-by-side in the crystal cell of 2,2′,7,7′-tetramethoxy-9,9′-spiro-9-silabifluorene

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X-ray crystal structure analysis of a sublimation-grown spiro silabifluorene, that is highly fluorescent in the violet-blue, established that there are six cocrystallized ordered conformers in the asymmetric unit. Crystals were grown by a vapor transport method under argon gas flow at temperatures between 255–280°C. As expected, there are no cocrystallized solvent molecules. There is no π-stacking of the aryl groups. There is no possibility for normal hydrogen bond formation; however, several CH⋯π bonds occur. The packing is efficient with a density of 1.24 g/cc. Each conformer deviates from tetrahedral geometry around the Si atom. Cell data are: C28H24O4Si×12, sp. gr. P\(\bar 1\), a=16.2750(5) Å, b=20.6613(5) Å, c=23.8289(5) Å, α=102.025(2)°, β=94.252(2)°, and γ=109.916(2)°, V=7275(1) Å3.

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Authors and Affiliations

  1. Laboratory for the Structure of Matter, Naval Research Laboratory, Washington, DC, 20375-5341, USA

    I. L. Karle

  2. Chemistry Department, Howard University, 525 College Street, N.W. Washington, DC, 20059, USA

    R. Butcher

  3. Optical Sciences Division, Naval Research Laboratory, Washington, DC, 20375-5341, USA

    M. A. Wolak, S. H. Lee & Z. H. Kafafi

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  1. I. L. Karle
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  2. R. Butcher
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  3. M. A. Wolak
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  4. S. H. Lee
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  5. Z. H. Kafafi
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Correspondence to I. L. Karle.

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Karle, I.L., Butcher, R., Wolak, M.A. et al. Conformational diversity: Six conformers side-by-side in the crystal cell of 2,2′,7,7′-tetramethoxy-9,9′-spiro-9-silabifluorene. J Chem Crystallogr 37, 171–179 (2007). https://doi.org/10.1007/s10870-006-9129-x

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  • DOI: https://doi.org/10.1007/s10870-006-9129-x

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