Sample Originator: Donated Samplea.
Data Collection: Susanne L. Huthb and Michael B. Hursthouseb
Structure Determination: Susanne L. Huthb.
Sample kindly provided by Maybridgea
University of Southamptonb
C10H9N3O2
InChI=1/C10H9N3O2/c14-10(15)9-4-2-1-3-8(9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H,14,15)
| Identification Number: | 10.5258/ecrystals/366 |
|---|
| Date Created: | 08 June 2007 |
|---|
| Deposited On: | 31 Jan 2008 13:10 |
|---|
| Deposited By: | Mrs L. Susanne Coles (née) Huth |
|---|
Depositor Comments
More information about this compound can be found at:
http://www.maybridge.com/
Data collection parameters
| Chemical formula | C10 H9 N3 O2 |
| Crystal morphology | Shard |
| Crystal system | Monoclinic |
| Space group symbol | C2/c |
| Cell length a | 20.4199(5) |
| Cell length b | 9.0684(4) |
| Cell length c | 13.7141(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 132.0700(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0273 |
| R Factor (Obs) | 0.0495 |
| R Factor (All) | 0.0721 |
| Weighted R Factor (Obs) | 0.0927 |
| Weighted R Factor (All) | 0.1052 |
Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/366)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
