Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 1 (January 2007)


organic compounds



gg3053 scheme

Acta Cryst. (2007). C63, o73-o76    [ doi:10.1107/S0108270106052668 ]

Secondary interactions in two related terphenyl derivatives: 2',5'-dimethyl-p-terphenyl and 2',5'-bis(bromomethyl)-p-terphenyl

P. G. Jones, A. Zemanek and P. Kus

Abstract: In 2',5'-dimethyl-p-terphenyl, C20H18, which displays pseudosymmetry (the true space group is Pna21, but less satisfactory refinement can also be achieved in Pbcn), the molecules are linked into chains by two short C-H...[pi] interactions to the centroid of the central ring. In 2',5'-bis(bromomethyl)-p-terphenyl, C20H16Br2, the polar CH2Br groups cause molecules to aggregate via C-H...Br and Br...Br interactions, forming a layer structure, in which the phenyl rings project outwards from the central, more polar, region.

Formula: C20H18 and C20H16Br2


hkldisplay filedownload file

Structure factor file (CIF format) (86.5 kbytes)
[ doi:10.1107/S0108270106052668/gg3053Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (242.7 kbytes)
[ doi:10.1107/S0108270106052668/gg3053IIsup3.hkl ]
Contains datablock II


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