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 formula | C8 H10 Cl2 N2 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 3.9283(10) |
| Cell length b | 18.273(4) |
| Cell length c | 11.990(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 97.462(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0993 |
| 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/)
Export as: oreChem EndNote BibTeX ASCII Citation
