Abstract

Mol-ecules of the title compound, C7H10N2O4, systematic name 5-hy-droxy-5-propyl-pyrimidine-2,4,6(1H,3H,5H)-trione, form a hydrogen-bonded framework which is based on three independent hydrogen bonds, N-H⋯O(carbon-yl), N-H⋯O(hy-droxy) and O-H⋯O(carbon-yl). This framework has the topology of the 5-connected nov net. Each mol-ecule is linked to five other mol-ecules via six hydrogen bonds, and the descriptor of the hydrogen-bonded structure is F65[4(4).6(6)-nov]. The crystal packing is isostructural with that of the previously reported 5-hy-droxy-5-ethyl analogue.

Highlights

  • Molecules of the title compound, C7H10N2O4, systematic name 5-hydroxy-5propylpyrimidine-2,4,6(1H,3H,5H)-trione, form a hydrogen-bonded framework which is based on three independent hydrogen bonds, N—H O(carbonyl), N—H O(hydroxy) and O—H O(carbonyl)

  • This framework has the topology of the 5-connected nov net

  • Each molecule is linked to five other molecules via six hydrogen bonds, and the descriptor of the hydrogen-bonded structure is F65[44.66-nov]

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Summary

Chemical context

As part of a systematic investigation of solid-state properties of derivatives of barbituric acid (Gelbrich et al, 2015; Zencirci et al, 2014; Rossi et al, 2012), we are studying the polymorphism of a group of 5-monosubstituted barbituric acids. The analogous oxidation product of 5-ethylbarbituric acid was previously reported by Gatehouse & Craven (1971)

Structural commentary
Supramolecular features
Synthesis and crystallization
Analysis of structural features
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