Sample Originator: Donated Samplea.
Data Collection: Susanne L. Huthb and Michael B. Hursthouseb
Structure Determination: Susanne L. Huthb.
Sample kindly provided by Maybridgea
University of Southamptonb
C10H8ClNOS
InChI=1/C10H8ClNOS/c11-8-3-1-2-7(4-8)10-12-9(5-13)6-14-10/h1-4,6,13H,5H2
| Identification Number: | 10.5258/ecrystals/369 |
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| Date Created: | 07 June 2007 |
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| Deposited On: | 31 Jan 2008 13:14 |
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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 | C10 H8 Cl N O S |
| Crystal morphology | Needle |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 15.3278(4) |
| Cell length b | 4.3325(2) |
| Cell length c | 15.1614(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 108.576(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0598 |
| R Factor (Obs) | 0.0623 |
| R Factor (All) | 0.0884 |
| Weighted R Factor (Obs) | 0.1272 |
| Weighted R Factor (All) | 0.1425 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/369)
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