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X-ray crystal structure of DL-aspartic acid-β-hydroxamic acid (N-hydroxyasparagine) monohydrate

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Abstract

The structure of DL-aspartic acid-β-hydroxamic acid (N-hydroxyasparagine, Asp-β-ha) monohydrate C4H10N2O5 (HOOCCH(NH2)CH2C(O)NHOH×H2O) has been determined by single-crystal X-ray diffraction methods. The crystals are orthorhombic:P21 nb(C 92v ),a=9.690(2),b=8.936(2),c=8.118(2) Å,Z=4. The structure has been solved by direct phase determination methods, and refined to an R value of 0.026 for 797 nonzero independent amplitudes. The molecule of the title compound exists in the structure as a zwitterion,−OOCCH(NH +3 )CH2C(O)NHOH. The crystal structure is stabilized by intermolecular O⋯H-N and O⋯H-O hydrogen bonds involving amino groups, carboxyl groups and water molecules.

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Authors and Affiliations

  1. Institute of Chemistry, University of Wrocław, 50-383, Wrocław, Poland

    Tadeusz Głowiak

  2. Institute of Chemistry, Pedagogical University, 08-110, Siedlce, Poland

    Barbara Kurzak

Authors
  1. Tadeusz Głowiak
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  2. Barbara Kurzak
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Głowiak, T., Kurzak, B. X-ray crystal structure of DL-aspartic acid-β-hydroxamic acid (N-hydroxyasparagine) monohydrate. Journal of Crystallographic and Spectroscopic Research 22, 95–99 (1992). https://doi.org/10.1007/BF01161370

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  • DOI: https://doi.org/10.1007/BF01161370

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