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Crystal structures of two modifications oftrans-1,3-bis(3,4-dimethoxyphenyl)-2,3-epoxy-1-propanone

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Abstract

trans-1,3-Bis(3,4-dimethoxyphenyl)-2,3-epoxy-1-propanone exhibits dimorphism and crystallizes in a monoclinic form from ethanol and in a trigonal form from chloroform/hexane. The crystal structures of the two modifications were determined by single-crystal X-ray diffraction methods. The monoclinic form crystallizes in space groupP2t/c with\(\dot a = 8.709(2)\),b=7.986(1),c=25.223(4) Å, β=94.83(2)°,V=1747.9(6) Å andZ=4.R=0.052 for 1236 reflections [I>3σ(I)]. The trigonal form crystallizes in space group\(R\bar 3\) witha=36.048(6),c=8.313(5) Å,V=9355(6) Å andZ=18 (hexagonal axes).R=0.101 for 1216 reflections [I>3σ(I)]. In the trigonal crystals there are channels in thec-direction with a diameter of approximately 10 Å. Possible explanations for the comparatively highR-value are discussed.

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Authors and Affiliations

  1. Department of Inorganic Chemistry, Chalmers University of Technology and University of Göteborg, S-412 96, Göteborg, Sweden

    Rolf Stomberg

  2. Department of Organic Chemistry, Chalmers University of Technology and University of Göteborg, S-412 96, Göteborg, Sweden

    Shiming Li & Knut Lundquist

Authors
  1. Rolf Stomberg
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  2. Shiming Li
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  3. Knut Lundquist
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Stomberg, R., Li, S. & Lundquist, K. Crystal structures of two modifications oftrans-1,3-bis(3,4-dimethoxyphenyl)-2,3-epoxy-1-propanone. J Chem Crystallogr 24, 407–413 (1994). https://doi.org/10.1007/BF01666086

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  • DOI: https://doi.org/10.1007/BF01666086

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