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1-Methylpiperazine oxalate dihydrate

Sample Originator: Samantha K. Calleara and Michael B. Hursthousea.

Data Collection: Samantha K. Calleara

Structure Determination: Samantha K. Calleara.

University of Southamptona

C7H18N2O6

InChI=1/C5H14N2.C2H2O4.2H2O/c1-7-4-2-6-3-5-7;3-1(4)2(5)6;;/h7H,2-6H2,1H3;(H,3,4)(H,5,6);2*1H2

Identification Number:10.5258/ecrystals/566
Date Created:07 August 2008
Deposited On:14 Apr 2009 20:41
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC7 H18 N2 O6
Crystal morphologyPlate
Crystal systemmonoclinic
Space group symbolP21
Cell length a8.2165(4)
Cell length b7.0534(5)
Cell length c10.0677(7)
Cell angle alpha90.00
Cell angle beta104.266(4)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0344
R Factor (All)0.0462
Weighted R Factor (Obs)0.0761
Weighted R Factor (All)0.0788

Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/566)
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