Sample Originator: Simon J. Coles, C. P. Chapman, Michael B. Hursthouse, Mark E. Light, G. J. Tizzard, S. Camiolo and Phil A. Gale.



Identification Number:10.5258/ecrystals/111
Date Created:09 March 2001
Deposited On:21 Jan 2008 15:29
Deposited By:A.N. Admin

Depositor Comments

Four new 2-amidopyrroles and 2,5-diamidopyrroles have been synthesized and their anion complexation properties investigated. The crystal structures of these receptors have been elucidated and reveal hydrogen bonding in the solid state leading to dimer and network formation. Selectivity for oxo-anions has been demonstrated by 1H NMR titration techniques.

Data collection parameters

Chemical formulaC30 H23 N3 O2
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a9.4890(9)
Cell length b9.4925(9)
Cell length c27.4534(5)
Cell angle alpha91.483(3)
Cell angle beta88.321(3)
Cell angle gamma73.520(4)
Data collection temperature150(2)

Refinement results

Solution figure of merit0.0538
R Factor (Obs)0.0622
R Factor (All)0.1269
Weighted R Factor (Obs)0.1249
Weighted R Factor (All)0.1625

Citation: Coles, Simon J. and Chapman, C. P. and Hursthouse, Michael B. and Light, Mark E. and Tizzard, G. J. and Camiolo, S. and Gale, Phil A. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/111)
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