1,4-Bis(1,1-dimethylpropyl)-2,5-dimethoxybenzene

Amimoto Kiichi

Acta Crystallographica Section E Structure Reports Online

The title compound, C18H30O2, was prepared by Friedel-Crafts alkylation of 1,4-dimethoxybenzene with 2-methyl-2-butanol. The complete molecule is generated by the application of a crystallographic centre of inversion. The two methoxy groups are oriented in the same plane of the aromatic ring [C-C-O-C torsion angle = 9.14 (16)degrees]. While one methyl group of the tert-pentyl substituent is coplanar with the benzene ring [C-C-C-C = 0.45 (15)degrees] and lies towards the less-hindered H atom, the other methyl and ethyl groups are directed to either side of the benzene ring [C-C-C-C torsion angles = 118.78 (12) and 59.11 (14)degrees, respectively]. In the crystal, the hydrophobic molecules pack to form a brick-wall-like architecture.

single-crystal X-ray study

T = 90 K

mean σ(C-C) = 0.002Å

R factor = 0.042

wR factor = 0.114

data-to-parameter ratio = 12.5.

Chemistry [ 430 ]

eng

International Union of Crystallography

(c) International Union of Crystallography

[ISSN] 1600-5368

[DOI] 10.1107/S160053681103772X

[NCID] AA12097683

[DOI] http://dx.doi.org/10.1107/S160053681103772X