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
C10H12N2O2
InChI=1/C10H12N2O2/c1-7(13)11-9-4-3-5-10(6-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)
| Identification Number: | 10.5258/ecrystals/1380 |
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| Date Created: | 22 October 2008 |
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| Deposited On: | 30 Mar 2011 17:55 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C10 H12 N2 O2 |
| Crystal morphology | Cut Rhombus |
| Crystal system | Monoclinic |
| Space group symbol | P21/c |
| Cell length a | 8.9722(6) |
| Cell length b | 6.8630(5) |
| Cell length c | 15.3273(8) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.092(5) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0356 |
| R Factor (Obs) | 0.0856 |
| R Factor (All) | 0.1262 |
| Weighted R Factor (Obs) | 0.2068 |
| Weighted R Factor (All) | 0.2412 |
Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1380)
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