Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 8 (August 2007)

organic compounds

gd3118 scheme

Acta Cryst. (2007). C63, o468-o473 [ doi:10.1107/S0108270107027606 ]

C-H interactions in five ethynyl-substituted [2.2]paracyclophanes: further examples of the `7,11' packing pattern

P. G. Jones, I. Dix and H. Hopf

Abstract: The monosubstituted derivative 4-ethynyl[2.2]paracyclophane, C₁₈H₁₆, (I), and the four disubstituted isomers, 4,12-, (II), 4,13-, (III), 4,15-, (IV), and 4,16-diethynyl[2.2]paracyclophane, (V), all C₂₀H₁₆, show the usual distortions of the [2.2]paracyclophane framework. The crystal packing is analyzed in terms of C-H [pi] interactions, some with H [pi] as short as 2.47 Å, in which the cyclophane rings and/or the triple-bond systems may act as acceptors. For compounds (I) and (IV), the known `7,11'-type cyclophane packing is observed, with a herring-bone pattern of molecules in a layer structure.

Formula: C₁₈H₁₆, and four isomers of C₂₀H₁₆


	Structure factor file (CIF format) (107.8 kbytes) [ doi:10.1107/S0108270107027606/gd3118Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (165.9 kbytes) [ doi:10.1107/S0108270107027606/gd3118IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (84.7 kbytes) [ doi:10.1107/S0108270107027606/gd3118IIIsup4.hkl ] Contains datablock III

	Structure factor file (CIF format) (89.6 kbytes) [ doi:10.1107/S0108270107027606/gd3118IVsup5.hkl ] Contains datablock IV

	Structure factor file (CIF format) (72.1 kbytes) [ doi:10.1107/S0108270107027606/gd3118Vsup6.hkl ] Contains datablock V

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