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Crystal structure of di(ethyleneglycol)di(para-methylbenzoate), C20H22O5

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Abstract

The crystal structure of di(ethyleneglycol)di(para-methylbenzoate), C20H22O5, has been determined by direct methods from 1400 observed reflections collected on a Nonius CAD-4 automatic diffractometer. The crystals have a monoclinic unit cell of dimensionsa=11.408(2),b=5.808(3),c=8.542(4) Å andβ=109.50(2)° and belong to theP21/c space group (No. 14). The finalR value is 0.049. The benzene rings are planar and show the usual distortions due topara-substitutions. The carboxylate planes are inclined by 2.2(4) and 4.7(4)° from their respective benzene ring planes. The conformation of the di(ethyleneglycol) moiety,tg − gtg − g − (t=trans, g=gauche), differs considerably from that of the methylenic sequences in pentamethyleneglycoldi(para-nitrobenzoate) which is alltrans, or in pentamethyleneglycoldi(para-chlorobenzoate) which isg t t t t g.

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  1. Département de Chimie, Université de Montréal, C. P. 6210, Succ. A., H3C 3VI, Montréal, Québec, Canada

    Bruno Remillard & François Brisse

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  1. Bruno Remillard
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  2. François Brisse
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Remillard, B., Brisse, F. Crystal structure of di(ethyleneglycol)di(para-methylbenzoate), C20H22O5 . Journal of Crystallographic and Spectroscopic Research 15, 473–481 (1985). https://doi.org/10.1007/BF01171050

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