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2-Methylaniliniumchloride

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
Date Created:03 November 2008
Deposited On:03 Apr 2009 11:51
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC7 H10 Cl N
Crystal morphologyCut Rod
Crystal systemOrthorhombic
Space group symbolP c a 21
Cell length a15.6207(4)
Cell length b5.39290(10)
Cell length c8.6541(2)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.1075
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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