Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 3 (March 2013)


organic compounds



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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