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Australian Journal of Chemistry Australian Journal of Chemistry Society
An international journal for chemical science
RESEARCH ARTICLE

Crystal Structure of Alloxan Monohydrate: A Redetermination

JM Harrowfield, BW Skelton, AA Soudi and AH White

Australian Journal of Chemistry 42(10) 1795 - 1798
Published: 1989

Abstract

The structure of the title compound, C4H4N2O5, has been redetermined by single-crystal X-ray diffraction methods at c. 295 K. Crystals are triclinic, P1, a 8.217(2), b 6.809(2), c 5.765(4) Å, α 66.49(3),β 81.87(3), γ 74.35(2)º, Z= 2; the structure was refined by full-matrix least squares to a residual of 0.042 for 2190 independent 'observed' reflections, typical non-hydrogen interatomic distances being determined with estimated standard deviations of 0.001 Å. Together with the recent precise redetermination of the structure of alloxan , these results allow comparison of the geometries of essentially planar polycarbonyl (-hydrate) arrays with those of long-chain arrays previously recorded.

https://doi.org/10.1071/CH9891795

© CSIRO 1989

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