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 |
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Date Created: | 08 June 2007 |
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Deposited On: | 31 Jan 2008 13:10 |
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Deposited By: | Mrs L. Susanne Coles (née) Huth |
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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)
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