Commensurate urea inclusion crystals with the guest (E,E)-1,4-diiodo-1,3- butadiene

Amanda F. Lashua, Tiffany M. Smith, Hegui Hu, Lihui Wei, Damian G. Allis, Michael B. Sponsler, Bruce S. Hudson

Research output: Contribution to journalArticle

7 Scopus citations

Abstract

The urea inclusion compound (UIC) with (E,E)-1,4-diiodo-1,3-butadiene (DIBD) as a guest (DIBD:UIC) has been prepared and crystallographically characterized at 90 and 298 K as a rare example of a commensurate, fully ordered UIC. The crystal shows nearly hexagonal channels in the monoclinic space group P21/n. The DIBD guest molecules are arranged end-to-end with the nonbonding iodine atoms in van der Waals contact. The guest structure is compared with that for DIBD at 90 K and with computations for the periodic UIC and isolated DIBD molecule.

Original languageEnglish (US)
Pages (from-to)3852-3855
Number of pages4
JournalCrystal Growth and Design
Volume13
Issue number9
DOIs
StatePublished - Sep 4 2013

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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    Lashua, A. F., Smith, T. M., Hu, H., Wei, L., Allis, D. G., Sponsler, M. B., & Hudson, B. S. (2013). Commensurate urea inclusion crystals with the guest (E,E)-1,4-diiodo-1,3- butadiene. Crystal Growth and Design, 13(9), 3852-3855. https://doi.org/10.1021/cg400980b