Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C8H9N1O2
InChI=1/C8H9NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h2-6H,1H3,(H,9,10)
| Identification Number: | 10.5258/ecrystals/540 |
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| Controlled Keywords: | para-substituted formanilide |
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| Date Created: | 18 July 2008 |
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| Deposited On: | 01 Aug 2008 16:44 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C8 H9 N O2 |
| Crystal morphology | Plate |
| Crystal system | Orthorhombic |
| Space group symbol | P n a 21 |
| Cell length a | 10.5957(3) |
| Cell length b | 7.6655(3) |
| Cell length c | 9.2544(2) |
| 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 | 0.0537 |
| R Factor (Obs) | 0.0287 |
| R Factor (All) | 0.0313 |
| Weighted R Factor (Obs) | 0.0692 |
| Weighted R Factor (All) | 0.0705 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/540)
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