Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C6H6ClN
InChI=1/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
| Identification Number: | 10.5258/ecrystals/695 |
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| Date Created: | 05 July 2008 |
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| Deposited On: | 03 Apr 2009 11:52 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C6 H6 Cl N |
| Crystal morphology | Cut Block |
| Crystal system | Orthorhombic |
| Space group symbol | P n m a |
| Cell length a | 8.5936(2) |
| Cell length b | 7.2391(2) |
| Cell length c | 9.1897(3) |
| 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 | 0.0709 |
| R Factor (Obs) | 0.0244 |
| R Factor (All) | 0.0254 |
| Weighted R Factor (Obs) | 0.0647 |
| Weighted R Factor (All) | 0.0655 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/695)
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