Sample Originator: Terry L. Threlfalla.

Data Collection: Susanne L. Coles (née Huth)a

Structure Determination: Susanne L. Coles (née Huth)a and Michael B. Hursthousea.

University of Southamptona



Identification Number:10.5258/ecrystals/1379
Date Created:06 October 2008
Deposited On:30 Mar 2011 17:56
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC8 H8 Cl N O
Crystal morphologyCut Fragment
Crystal systemOrthorhombic
Space group symbolP 21 21 21
Cell length a4.76670(10)
Cell length b18.4984(4)
Cell length c18.6318(4)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0574
R Factor (Obs)0.0349
R Factor (All)0.0401
Weighted R Factor (Obs)0.0843
Weighted R Factor (All)0.0876

Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1379)
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