Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 3 (March 2013)


organic compounds



gz3229 scheme

Acta Cryst. (2013). C69, 273-276    [ doi:10.1107/S0108270113003041 ]

The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene

D. S. Yufit

Abstract: Crystals of 1,4-diethyl- and 1,2-diethylbenzene, both C10H14, and ethylbenzene, C8H9, have been grown in situ. The molecules of 1,4-diethyl- and 1,2-diethylbenzene are located about a centre of inversion and across a twofold axis, respectively. In both molecules, the terminal methyl groups are located on opposite sides of the plane of the aromatic ring. In the crystal structures of all three compounds, molecules are linked together by (Ar)C-H...[pi] and CH2...[pi] contacts. The methyl H atoms do not form close contacts with any of the aromatic [pi] systems.

Formula: Two isomers of C10H14, and C8H10


hkldisplay filedownload file

Structure factor file (CIF format) (48.5 kbytes)
[ doi:10.1107/S0108270113003041/gz3229Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (31.5 kbytes)
[ doi:10.1107/S0108270113003041/gz3229IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (71.8 kbytes)
[ doi:10.1107/S0108270113003041/gz3229IIIsup4.hkl ]
Contains datablock III


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