N,N'-Diphenyl-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide dimethylsulfoxide solvate

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

C30H23N3O2 . C2H6OS


Identification Number:10.5258/ecrystals/125
Date Created:03 July 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 formulaC32 H29 N3 O3 S
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a9.6860(2)
Cell length b18.6429(4)
Cell length c15.5603(3)
Cell angle alpha90.00
Cell angle beta104.503(5)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.1198
R Factor (Obs)0.0616
R Factor (All)0.1302
Weighted R Factor (Obs)0.1249
Weighted R Factor (All)0.1500

Citation: Hursthouse, Michael B. and Coles, Simon J. and Light, Mark E. and Chapman, C. P. and Tizzard, G. J. and Camiolo, S. and Gale, Phil A. (2001) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/125)
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