Commensurate Urea Inclusion Crystals with the Guest (E,E)‑1,4-Diiodo-1,3-Butadiene

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 grou...

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Bibliographic Details
Published in:Crystal growth & design 2013-09, Vol.13 (9), p.3852-3855
Main Authors: Lashua, Amanda F, Smith, Tiffany M, Hu, Hegui, Wei, Lihui, Allis, Damian G, Sponsler, Michael B, Hudson, Bruce S
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Exact sciences and technology
Physics
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
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Summary: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.
ISSN:1528-7483
1528-7505
DOI:10.1021/cg400980b