Sample Originator: Donated Samplea.
Data Collection: Michael B. Hursthouseb and Susanne. L. Huthb
Structure Determination: Susanne. L. Huthb and J. Withnellb.
Sample kindly provided by Maybridgea
University of Southamptonb
C10H11N3O
InChI=1/C10H11N3O/c14-6-10-4-2-1-3-9(10)5-13-8-11-7-12-13/h1-4,7-8,14H,5-6H2
| Identification Number: | 10.5258/ecrystals/282 |
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| Date Created: | 07 February 2007 |
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| Deposited On: | 21 Jan 2008 15:31 |
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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 H11 N3 O |
| Crystal morphology | Rod |
| Crystal system | Orthorhombic |
| Space group symbol | Pnn2 |
| Cell length a | 12.7013(4) |
| Cell length b | 16.5159(6) |
| Cell length c | 4.31640(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 90.00 |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0473 |
| R Factor (Obs) | 0.0329 |
| R Factor (All) | 0.0424 |
| Weighted R Factor (Obs) | 0.0785 |
| Weighted R Factor (All) | 0.0829 |
Citation: Sample, Donated and Hursthouse, Michael B. and Huth, Susanne. L. and Withnell, J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/282)
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