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Crystal structures of dimethylsuccinate and dimethyloxalate: Carbonyl group orientation for C13 chemical shielding tensor studies

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Abstract

The crystal structures of dimethylsuccinate (DMS) and dimethyloxalate (DMO) have been determined to facilitate the determination of the C-13 chemical shielding tensors of the carbonyl carbon in esters. Crystals of DMS are monoclinic, space groupC2/c,Z=4,a=13.154(4),b=6.156(1),c=9.363(4)Å,β=98.53(3)°. The structure was solved by direct methods and refined by leastsquares procedures to giveR=0.071 for 932 observed data. Crystals of DMO are monoclinic space group,P21/n,Z=2, witha=3.891(1),b=11.879(2),c=6.213(2) Å,β=103.32(2)°. The structure is the same (within experimental error) as that reported by Dougill and Jeffrey (1953) and refined to giveR=0.074 for 395 observed data.

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Authors and Affiliations

  1. Department of Plant Physiology Waite Institute, University of Adelaide, 5064, Glen Osmond, S.A., Australia

    G. P. Jones

  2. Food Research Laboratory, CSIRO, 2113, North Ryde, N.S.W., Australia

    B. A. Cornell

  3. Department of Physical and Inorganic Chemistry, University of Adelaide, 5000, Adelaide, S.A., Australia

    E. Horn & E. R. T. Tiekink

Authors
  1. G. P. Jones
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  2. B. A. Cornell
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  3. E. Horn
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  4. E. R. T. Tiekink
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Jones, G.P., Cornell, B.A., Horn, E. et al. Crystal structures of dimethylsuccinate and dimethyloxalate: Carbonyl group orientation for C13 chemical shielding tensor studies. Journal of Crystallographic and Spectroscopic Research 19, 715–723 (1989). https://doi.org/10.1007/BF01179844

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  • DOI: https://doi.org/10.1007/BF01179844

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