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A second C2/c polymorph of butobarbitone

Lookup NU author(s): Gary Nichol, Emeritus Professor Bill CleggORCiD


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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.

Publication metadata

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.


DOI: 10.1107/S1600536807045448


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