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



Identification Number:10.5258/ecrystals/114
Date Created:21 February 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 formulaC26 H31 N3 O2
Crystal morphology
Crystal systemMonoclinic
Space group symbolCc
Cell length a25.5294(5)
Cell length b18.9718(5)
Cell length c9.7130(2)
Cell angle alpha90.00
Cell angle beta103.111(2)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit0.0540
R Factor (Obs)0.0567
R Factor (All)0.0709
Weighted R Factor (Obs)0.1438
Weighted R Factor (All)0.1555

Citation: Coles, Simon J. and Chapman, C. P. and Light, Mark E. and Tizzard, G. J. and Camiolo, S. and Gale, Phil A. and Hursthouse, Michael B. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/114)
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