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Crystal structure of orellanine hydrate - Journal of Chemical Crystallography

  • ️Antkowiak, Wiesław Z.
  • ️Thu Aug 01 1991

Abstract

Orellanine hydrate crystallizes in the monoclinic space groupC2/c with unit cell parametersa=11.516(1) Å,b=8.573(1) Å,c=11.167(2) Å,β=110.92(1)°. The finalR andR w equal 0.041 and 0.046, respectively. The water molecule in the hydrate binds bothN-oxide oxygens of the orellanine molecule by hydrogen bonds, thus fixing the conformation. The hydrate so formed occupies a special position on a twofold axis which passes through the midpoint of the C2-C2′ bond distance and the OW atom. Both of the hydroxy-groups participate also in intermolecular hydrogen bonds. As a consequence of the rigid hydrogen bonded network, the dihedral angle between these two pyridil rings of the orellanine molecule is equal to 90.20(5)°.

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Authors and Affiliations

  1. Laboratory of Crystallography, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780, Poznań, Poland

    Maciej Kubicki & Teresa Borowiak

  2. Laboratory of Organic Spectrochemistry, Faculty of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780, Poznań, Poland

    Wiesław Z. Antkowiak

Authors

  1. Maciej Kubicki

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  2. Teresa Borowiak

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  3. Wiesław Z. Antkowiak

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Kubicki, M., Borowiak, T. & Antkowiak, W.Z. Crystal structure of orellanine hydrate. Journal of Crystallographic and Spectroscopic Research 21, 401–405 (1991). https://doi.org/10.1007/BF01160652

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  • Received: 21 September 1990

  • Issue Date: August 1991

  • DOI: https://doi.org/10.1007/BF01160652

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