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Structure of dipotassium 5,6-dihydrouracil-6,6-disulfonate monohydrate

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Abstract

The title compound was synthesized and its crystal structure determined by single crystal X-ray diffraction techniques. It crystallizes in the monoclinic system witha=9.390(1),b=9.688(2),c=13.828(3)Å,β=110.16(2)°, space groupP21/c,Z=4. The structure was solved by direct methods and refined by full-matrix least-squares calculations toR=0.032 for 1968 reflections withI>3σ(I) [MoKα radiation]. The six-membered ring of the 5,6-dihydrouracil-6,6-disulfonate dianion displays an approximate skew-boat conformation, but the ring puckering differs from that commonly observed in 5,6-dihydrouracil derivatives. The coordination to two crystallographically independent K+ ions which exhibit different coordination geometries links anions, cations and water molecules in an infinite three-dimensional network.

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Authors and Affiliations

  1. Dipartimento di Chimica, University of Modena, Via G. Campi 183, 41100, Modena, Italy

    Luciano Antolini

  2. Dipartimento di Scienze Farmaceutiche, University of Modena, Via G. Campi 183, 41100, Modena, Italy

    Piergiorgio Pecorari & Marcella Rinaldi

Authors
  1. Luciano Antolini
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  2. Piergiorgio Pecorari
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  3. Marcella Rinaldi
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Antolini, L., Pecorari, P. & Rinaldi, M. Structure of dipotassium 5,6-dihydrouracil-6,6-disulfonate monohydrate. Journal of Crystallographic and Spectroscopic Research 23, 981–985 (1993). https://doi.org/10.1007/BF01185547

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  • DOI: https://doi.org/10.1007/BF01185547

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