Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C13H12N2O
InChI=1/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
| Identification Number: | 10.5258/ecrystals/681 |
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| Date Created: | 14 July 2008 |
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| Deposited On: | 03 Apr 2009 10:33 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C13 H12 N2 O |
| Crystal morphology | Cut Needle |
| Crystal system | Orthorhombic |
| Space group symbol | P n a 21 |
| Cell length a | 9.0662(3) |
| Cell length b | 10.3420(4) |
| Cell length c | 11.7380(4) |
| 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 | 0.0480 |
| R Factor (Obs) | 0.0500 |
| R Factor (All) | 0.0691 |
| Weighted R Factor (Obs) | 0.0976 |
| Weighted R Factor (All) | 0.1075 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/681)
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