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Issue 26, 2017
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Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine

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Abstract

A computational search for polymorphs of cytosine, 5-flucytosine and a 1 : 1 mixture of the two substances not only rationalised the preferred packing arrangements but also enabled the finding and characterisation of cytosine/5-flucytosine solid solutions. The structures of the new solid forms were determined by combining laboratory powder X-ray diffraction data and computational modelling.

Graphical abstract: Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine

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Publication details

The article was received on 17 May 2017, accepted on 11 Jun 2017 and first published on 12 Jun 2017


Article type: Communication
DOI: 10.1039/C7CE00939A
Citation: CrystEngComm, 2017,19, 3566-3572
  • Open access: Creative Commons BY license
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    Prediction and experimental validation of solid solutions and isopolymorphs of cytosine/5-flucytosine

    D. E. Braun and U. J. Griesser, CrystEngComm, 2017, 19, 3566
    DOI: 10.1039/C7CE00939A

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