Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C8H10N2O1
InChI=1/C8H10N2O/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
| Identification Number: | 10.5258/ecrystals/538 |
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| Controlled Keywords: | para-substituted phenylurea |
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| Date Created: | 21 July 2008 |
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| Deposited On: | 01 Aug 2008 16:34 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C8 H10 N2 O |
| Crystal morphology | Needle |
| Crystal system | Monoclinic |
| Space group symbol | P 21/n |
| Cell length a | 4.6154(2) |
| Cell length b | 5.3698(2) |
| Cell length c | 31.2699(13) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 91.978(2) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0310 |
| R Factor (Obs) | 0.0529 |
| R Factor (All) | 0.0721 |
| Weighted R Factor (Obs) | 0.1433 |
| Weighted R Factor (All) | 0.1632 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/538)
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