Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 10 (October 2007)

organic compounds

 

-Stacked dimers in 6-methoxy-3,3-dimethyl-3H-benzo[f]chromene, and centrosymmetric dimers containing C-H(arene) hydrogen bonds in racemic 3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H-1,5-dioxatriphenylene

F. de C. da Silva, J. L. Wardell, S. M. S. V. Wardell, V. F. Ferreira, J. N. Low and C. Glidewell

Abstract: The title compounds, namely 6-methoxy-3,3-dimethyl-3H-benzo[f]chromene, C₁₆H₁₆O₂, (III), and racemic 3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H-1,5-dioxatriphenylene, C₂₀H₂₁BrO₂, (IV), were both synthesized in one-step regioselective Wittig reactions from substituted 1,2-naphthoquinones. The new ring in both compounds adopts a screw-boat conformation. A single - stacking interaction links the molecules of (III) into centrosymmetric dimeric aggregates, and a single C-H(arene) hydrogen bond links the molecules of (IV) into centrosymmetric dimers.

Formula: C₁₆H₁₆O₂ and C₂₀H₂₁BrO₂

	Structure factor file (CIF format) (191.7 kbytes) [ doi:10.1107/S0108270107039194/gg3118IVsup3.hkl ] Contains datablock IV
	Structure factor file (CIF format) (139.9 kbytes) [ doi:10.1107/S0108270107039194/gg3118IIIsup2.hkl ] Contains datablock III

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