The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea.

Spencer, E.C.; Howard, J.A.K.; Baruah, P.K.; Sanjayan, G.J.

Abstract

The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea (PIBU) has been investigated. Two polymorphic forms have been identified, a monoclinic α form and a triclinic γ form, both of which undergo a destructive phase transition below 165 K. The α form undergoes an additional temperature-dependent phase transition at approximately 250 K to give the β form. All three forms of PIBU have been structurally characterised by X-ray diffraction. In all three crystal structures the PIBU molecules are organised into dimer units, which are stabilised by a self-complementary AADD quadruple hydrogen bond array.

Citation

Spencer, E., Howard, J., Baruah, P., & Sanjayan, G. (2006). The solid-state behaviour of 4,6-dioxo-5,5-diethylenepyrimidine-2-isobutylurea. CrystEngComm, 8(6), 468-472. https://doi.org/10.1039/b603252d

• Journal Article Type: Article
• Publication Date: 2006-05
• Journal: CrystEngComm
• Electronic ISSN: 1466-8033
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 8
• Issue: 6
• Pages: 468-472
• DOI: https://doi.org/10.1039/b603252d
• Public URL: https://durham-repository.worktribe.com/output/1575134