Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.
Data Collection: Samantha K. Calleara
Structure Determination: Samantha K. Calleara.
University of Southamptona
C7H8N2O2
InChI=1/C7H9N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3,(H,10,11)
| Identification Number: | 10.5258/ecrystals/632 |
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| Date Created: | 24 January 2009 |
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| Deposited On: | 24 Jan 2009 16:38 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C7 H8 N2 O2 |
| Crystal morphology | Plate |
| Crystal system | orthorhombic |
| Space group symbol | P212121 |
| Cell length a | 3.8043(11) |
| Cell length b | 12.987(4) |
| Cell length c | 14.401(3) |
| 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 | |
| R Factor (Obs) | 0.1223 |
| R Factor (All) | 0.2282 |
| Weighted R Factor (Obs) | 0.1605 |
| Weighted R Factor (All) | 0.1960 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/632)
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