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

doi:10.1021/cg400980b

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

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

12 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 language	English (US)
Pages (from-to)	3852-3855
Number of pages	4
Journal	Crystal Growth and Design
Volume	13
Issue number	9
DOIs	https://doi.org/10.1021/cg400980b
State	Published - Sep 4 2013

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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

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.",

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AU - Lashua, Amanda F.

AU - Smith, Tiffany M.

AU - Hu, Hegui

AU - Wei, Lihui

AU - Allis, Damian G.

AU - Sponsler, Michael B.

AU - Hudson, Bruce S.

PY - 2013/9/4

Y1 - 2013/9/4

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AB - 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.

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

Abstract

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