bis(N,N'-bis(3,5-dinitrophenyl)isophthalamide)tetra-n-butylammoniumfluoride)

Sample Originator: G. L. Thomas, K. Navakhun, Jeremy G. Frey, Phil A. Gale, Mark E. Light, Simon J. Coles and Michael B. Hursthouse.

2C₂₀H₁₂N₆O₁₀ . 2C₁₆H₃₆N . 2F

InChI=1/2C20H12N6O10.2C16H36N.2F/c2*27-19(21-13-5-15(23(29)30)9-16(6-13)24(31)32)11-2-1-3-12(4-11)20(28)22-14-7-17(25(33)34)10-18(8-14)26(35)36;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h2*1-10H,(H,21,27)(H,22,28);2*5-16H2,1-4H3;;

Identification Number:	10.5258/ecrystals/29
Controlled Keywords:	Supramolecular Chemistry
Date Created:	23 October 2002
Deposited On:	21 Jan 2008 15:28
Deposited By:	A.N. Admin

Depositor Comments

The crystal structures of anion complexes of two nitro-aromatic functionalised isophthalamides are reported; the structures reveal assembly around anions in the solid-state and in the case of the fluoride complex of receptor 2, the formation of a double helix.

Data collection parameters

Chemical formula	C36 H48 F N7 O10
Crystal morphology
Crystal system	Monoclinic
Space group symbol	P2(1)/c
Cell length a	18.9979(13)
Cell length b	22.1130(11)
Cell length c	17.9782(10)
Cell angle alpha	90.00
Cell angle beta	91.571(2)
Cell angle gamma	90.00
Data collection temperature	120(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.1121
R Factor (All)	0.2200
Weighted R Factor (Obs)	0.2974
Weighted R Factor (All)	0.3545

Citation: Thomas, G. L. and Navakhun, K. and Frey, Jeremy G. and Gale, Phil A. and Light, Mark E. and Coles, Simon J. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/29)
Export as: oreChem EndNote BibTeX ASCII Citation