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C~8~H~10~Cl~2~N~2~ - C8H10Cl2N2

Sample Originator: Patrick J. Murphya.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

University of Wales, Bangora
University of Southamptonb

C8H10Cl2N2

InChI=1/C8H10Cl2N2/c9-6-3-5-12(8(6)10)7-2-1-4-11-7/h1-5H2

Controlled Keywords:organic compounds
Date Created:15 April 2002
Deposited On:16 Feb 2010 13:51
Deposited By:Mr Steve Lamond

Depositor Comments

All Hydrogen atoms were fixed.

Data collection parameters

Chemical formulaC8 H10 Cl2 N2
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a3.9283(10)
Cell length b18.273(4)
Cell length c11.990(3)
Cell angle alpha90.00
Cell angle beta97.462(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0993
R Factor (Obs)0.0585
R Factor (All)0.1208
Weighted R Factor (Obs)0.1098
Weighted R Factor (All)0.1295

Citation: Murphy, Patrick J. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1150/)
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