Sample Originator: Terry L. Threlfalla.

Data Collection: Susanne L. Hutha

Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.

University of Southamptona



Identification Number:10.5258/ecrystals/537
Controlled Keywords:para-substituted propionanilide
Date Created:05 July 2008
Deposited On:01 Aug 2008 16:06
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC9 H10 Br N O
Crystal morphologyCut Needle
Crystal systemOrthorhombic
Space group symbolPbca
Cell length a9.3819(2)
Cell length b9.2804(2)
Cell length c20.7436(5)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0488
R Factor (Obs)0.0294
R Factor (All)0.0419
Weighted R Factor (Obs)0.0579
Weighted R Factor (All)0.0644

Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/537)
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