Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C13H10Br2N2O
InChI=1/C13H10Br2N2O/c14-9-5-1-3-7-11(9)16-13(18)17-12-8-4-2-6-10(12)15/h1-8,16-17H/q-1
| Identification Number: | 10.5258/ecrystals/689 |
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| Date Created: | 27 November 2008 |
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| Deposited On: | 02 Apr 2009 19:26 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C13 H10 Br2 N2 O |
| Crystal morphology | Needle |
| Crystal system | Orthorhombic |
| Space group symbol | P 21 21 2 |
| Cell length a | 11.5691(4) |
| Cell length b | 11.5772(4) |
| Cell length c | 4.66620(10) |
| 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 | 0.0221 |
| R Factor (Obs) | 0.0276 |
| R Factor (All) | 0.0295 |
| Weighted R Factor (Obs) | 0.0588 |
| Weighted R Factor (All) | 0.0597 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/689)
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