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:P21nb(C 2v 9 ),a=9.690(2),b=8.936(2),c=8.118(2) A,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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