Sample Originator: Craig Buttsa.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Exetera
University of Southamptonb
C15H25BrN2O
InChI=1/C15H23N2.BrH.H2O/c1-3-5-11-16-13-17(12-6-4-2)15-10-8-7-9-14(15)16;;/h7-10,13H,3-6,11-12H2,1-2H3;1H;1H2
| Identification Number: | 10.5258/ecrystals/947 |
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| Controlled Keywords: | structures of ionic liquids |
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| Date Created: | 05 February 2003 |
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| Deposited On: | 08 Nov 2013 16:21 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C15 H25 Br N2 O |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 8.76900(10) |
| Cell length b | 18.3239(6) |
| Cell length c | 10.4942(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 107.374(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0334 |
| R Factor (All) | 0.0500 |
| Weighted R Factor (Obs) | 0.0797 |
| Weighted R Factor (All) | 0.0867 |
Citation: Butts, Craig and Coles, Simon J. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/947)
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