3,4-Diphenyl-1H-pyrrole-2,5-dicarboxylic acid bis-[(3,5-dinitro-phenyl)-amide] dimethylsulfoxide solvate

Sample Originator: S. Camiolo, Phil A. Gale, Mark E. Light and Michael B. Hursthouse.

C30H19N7O10 . 2C2H6OS


Identification Number:10.5258/ecrystals/21
Controlled Keywords:Supramolecular Chemistry
Date Created:17 April 2002
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Depositor Comments

Two new pyrrole 2,5-diamide clefts have been synthesized containing 4-nitrophenyl or 3,5-dinitrophenyl groups appended to the amide positions. The 3,5-dinitrophenyl derivative has been shown to deprotonate in the presence of fluoride, which in acetonitrile solution, gives rise to a deep blue colour.DOI: 10.1039/b210848h

Data collection parameters

Chemical formulaC34 H31 N7 O12 S2
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a8.608(5)
Cell length b15.212(5)
Cell length c15.257(5)
Cell angle alpha67.786(5)
Cell angle beta84.475(5)
Cell angle gamma73.886(5)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0559
R Factor (All)0.1424
Weighted R Factor (Obs)0.0998
Weighted R Factor (All)0.1242

Citation: Camiolo, S. and Gale, Phil A. and Light, Mark E. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/21)
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