2-Methylimidazolium hemiadipate hemiadipic acid hydrate
Sample Originator: Samantha K. Calleara and Michael B. Hursthousea. Data Collection: Samantha K. Calleara Structure Determination: Samantha K. Calleara. University of Southamptona
C10H18N2O5 InChI=1/2C6H10O4.C4H7N2.H2O/c2*7-5(8)3-1-2-4-6(9)10;1-4-5-2-3-6-4;/h2*7,9H,1-4H2;2-3,5-6H,1H3;1H2/q2*-2;;/p-2 | Identification Number: | 10.5258/ecrystals/521 |
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| Date Created: | 14 July 2008 |
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| Deposited On: | 22 Jul 2008 16:10 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters| Chemical formula | C10 H18 N2 O5 | | Crystal morphology | | | Crystal system | triclinic | | Space group symbol | P-1 | | Cell length a | 4.8629(3) | | Cell length b | 7.9978(5) | | Cell length c | 16.5263(11) | | Cell angle alpha | 96.9510(10) | | Cell angle beta | 94.4750(10) | | Cell angle gamma | 107.3840(10) | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0516 | | R Factor (All) | 0.0573 | | Weighted R Factor (Obs) | 0.1437 | | Weighted R Factor (All) | 0.1504 |
Citation: Callear, Samantha K. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/521)
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