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Lookup NU author(s): Gary Nichol, Professor William Clegg
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A second C2/c polymorph of butobarbitone (5-butyl-5-ethyl-barbituric acid), C10H16N2O3, and a third polymorph overall, has been obtained after prolonged standing of an aqueous solution from which the first polymorph had been crystallized. It has the same space group as the first polymorph at room temperature, but very different cell parameters from both its room-temperature and low-temperature forms (the second polymorph), which are related by a displacive phase transition [Nichol & Clegg (2005). Acta Cryst. C61, o297-o299] with the low-temperature form having space group P21/n. The new polymorph shows no phase transition over the temperature range 150-270 K and has a higher density than the first and second polymorphs. N - H⋯O hydrogen bonds link the mol-ecules into tapes, which inter-weave in the crystal structure. © International Union of Crystallography 2007.
Author(s): Nichol GS, Clegg W
Publication type: Article
Publication status: Published
Journal: Acta Crystallographica Section E: Structure Reports Online
Year: 2007
Volume: 63
Issue: 10
ISSN (print): 1600-5368
ISSN (electronic):
Publisher: Wiley-Blackwell Publishing, Inc.
URL: http://dx.doi.org/10.1107/S1600536807045448
DOI: 10.1107/S1600536807045448
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