Sample Originator: G. Eastham, Michael B. Hursthouse, Mark E. Light, S. Kleinhenz, A. A. Danopoulos and A. A. D. Tulloch.
(C18H19BrCuN3)n . 2n(CDCl3)
InChI=1/C18H19N3.2CHCl3.BrH.Cu/c1-14-10-15(2)18(16(3)11-14)21-9-8-20(13-21)12-17-6-4-5-7-19-17;2*2-1(3)4;;/h4-11H,12H2,1-3H3;2*1H;1H;/q;;;;+1/p-1/i;2*1D;;
| Identification Number: | 10.5258/ecrystals/115 |
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| Date Created: | 06 August 2000 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Depositor Comments
The use of the versatile pyridine N-functionalized carbene ligands has allowed the isolation and structural characterization of copper(I) imidazol-2-ylidene complexes of the type {[(3-R)(1-L)imidazol-2-ylidene]CuBr}, where L = 2-picolyl, R = 2,4,6-trimethylphenyl (mesityl), 2,6-Pri2C6H3; L = 2-pyridyl, R = 2,6-Pri2C6H3. They were prepared by interaction of the corresponding imidazolium bromides with Cu2O in chlorinated solvents in the presence of molecular sieves. In the solid state the 2-picolyl derivatives crystallize as dimers or polymers depending on the crystallization conditions, while the 2-pyridyl derivative crystallizes as monomer.
Data collection parameters
| Chemical formula | C20 H19 Br Cl6 Cu D2 N3 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 13.1826(2) |
| Cell length b | 12.8268(2) |
| Cell length c | 16.4122(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 105.9640(10) |
| Cell angle gamma | 90.0000(10) |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | 49.57 |
| R Factor (Obs) | 0.0560 |
| R Factor (All) | 0.1755 |
| Weighted R Factor (Obs) | 0.1144 |
| Weighted R Factor (All) | 0.1528 |
Citation: Eastham, G. and Hursthouse, Michael B. and Light, Mark E. and Kleinhenz, S. and Danopoulos, A. A. and Tulloch, A. A. D. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/115)
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