Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Coles (née Huth)a
Structure Determination: Susanne L. Coles (née Huth)a and Michael B. Hursthousea.
University of Southamptona
C9H8N2O
InChI=1/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5,11H,1H3/q-1
| Identification Number: | 10.5258/ecrystals/1401 |
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| Date Created: | 02 March 2009 |
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| Deposited On: | 30 Mar 2011 21:15 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C9 H8 N2 O |
| Crystal morphology | Lath |
| Crystal system | Monoclinic |
| Space group symbol | Cc |
| Cell length a | 3.8456(10) |
| Cell length b | 22.190(5) |
| Cell length c | 9.448(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.048(15) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0320 |
| R Factor (Obs) | 0.0699 |
| R Factor (All) | 0.1246 |
| Weighted R Factor (Obs) | 0.1401 |
| Weighted R Factor (All) | 0.1679 |
Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1401)
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