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2-Methylimidazolium glutarate

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

Data Collection: Samantha K. Calleara

Structure Determination: Samantha K. Calleara.

University of Southamptona

C9H14N2O4

InChI=1/C5H8O4.C4H7N2/c6-4(7)2-1-3-5(8)9;1-4-5-2-3-6-4/h1-3H2,(H,6,7)(H,8,9);2-3,5-6H,1H3

Identification Number:10.5258/ecrystals/472
Date Created:09 June 2008
Deposited On:14 Jul 2008 22:03
Deposited By:Dr Samantha K Callear

Data collection parameters

Chemical formulaC9 H14 N2 O4
Crystal morphologyLath
Crystal systemtriclinic
Space group symbolP-1
Cell length a5.3800(3)
Cell length b8.1542(6)
Cell length c12.6592(10)
Cell angle alpha78.350(4)
Cell angle beta82.962(4)
Cell angle gamma84.496(4)
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0941
R Factor (All)0.1675
Weighted R Factor (Obs)0.1477
Weighted R Factor (All)0.1758

Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/472)
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