Sample Originator: Donated Samplea.
Data Collection: Michael B. Hursthouseb and Susanne. L. Huthb
Structure Determination: Susanne. L. Huthb and J. Withnellb.
Sample kindly provided by Maybridgea
University of Southamptonb
C9H9ClN2
InChI=1/C9H9ClN2/c1-12-9-5-3-2-4-7(9)8(6-10)11-12/h2-5H,6H2,1H3
| Identification Number: | 10.5258/ecrystals/283 |
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| Date Created: | 08 February 2007 |
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| Deposited On: | 21 Jan 2008 15:31 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Depositor Comments
More information about this compound can be found at:
http://www.maybridge.com/
Data collection parameters
| Chemical formula | C9 H9 Cl N2 |
| Crystal morphology | Plate |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 15.0606(7) |
| Cell length b | 14.3262(7) |
| Cell length c | 8.1711(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.1288 |
| R Factor (Obs) | 0.0656 |
| R Factor (All) | 0.0958 |
| Weighted R Factor (Obs) | 0.1321 |
| Weighted R Factor (All) | 0.1497 |
Citation: Sample, Donated and Hursthouse, Michael B. and Huth, Susanne. L. and Withnell, J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/283)
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