Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C7H10ClN
InChI=1/C7H10N.Cl/c1-6-4-2-3-5-7(6)8;/h2-5H,1,8H3;
| Identification Number: | 10.5258/ecrystals/696 |
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| Date Created: | 03 November 2008 |
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| Deposited On: | 03 Apr 2009 11:51 |
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| Deposited By: | Mrs L. Susanne Coles (née) Huth |
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Data collection parameters
| Chemical formula | C7 H10 Cl N |
| Crystal morphology | Cut Rod |
| Crystal system | Orthorhombic |
| Space group symbol | P c a 21 |
| Cell length a | 15.6207(4) |
| Cell length b | 5.39290(10) |
| Cell length c | 8.6541(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 | 0.1075 |
| R Factor (Obs) | 0.0215 |
| R Factor (All) | 0.0219 |
| Weighted R Factor (Obs) | 0.0529 |
| Weighted R Factor (All) | 0.0532 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/696)
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