Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha, Michael B. Hursthousea and Simon J. Colesa.
University of Southamptona
C9H11N1O2
InChI=1/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
| Identification Number: | 10.5258/ecrystals/543 |
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| Controlled Keywords: | para-substituted acetanilide |
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| Date Created: | 21 June 2008 |
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| Deposited On: | 01 Aug 2008 17:24 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C9 H11 N O2 |
| Crystal morphology | Cut Plate |
| Crystal system | Orthorhombic |
| Space group symbol | Pbca |
| Cell length a | 9.1172(2) |
| Cell length b | 7.4950(2) |
| Cell length c | 24.6628(5) |
| 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 | 0.0998 |
| R Factor (Obs) | 0.0383 |
| R Factor (All) | 0.0459 |
| Weighted R Factor (Obs) | 0.0994 |
| Weighted R Factor (All) | 0.1049 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. and Coles, Simon J. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/543)
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