Abstract
The crystal structure of diglycollic acid has been determined by X-ray diffraction techniques and refined by full-matrix least squares, with three-dimensional counter data. The crystals are monoclinic:C2/c,a = 9·708(4),b = 3·938(3),c = 15·685(6) Å, β = 112·01(3) °, andZ = 4. The finalR-factor for 673 observed reflections is 0·050. The carboxyl groups are related by a two-fold axis, parallel tob, passing through the central oxygen atom of the molecule. Polymeric chains of molecules are formed by hydrogen bonding. The intermolecular O—O separation is 2·668 Å, and is consistent with the observed infrared spectrum of solid diglycollic acid.
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Davey, G., Whitlow, S.H. Crystal and molecular structure of diglycollic acid. Journal of Crystal and Molecular Structure 3, 193–199 (1973). https://doi.org/10.1007/BF01236640
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DOI: https://doi.org/10.1007/BF01236640