Sample Originator: John Spencera and Hiren Patela.
Data Collection: Samantha K. Callearb and Michael B. Hursthouseb
Structure Determination: Samantha K. Callearb.
University of Greenwicha
University of Southamptonb
C10H15N3O2S
InChI=1/C10H15N3O2S/c1-16(14,15)13-8-6-12(7-9-13)10-4-2-3-5-11-10/h2-5H,6-9H2,1H3
| Identification Number: | 10.5258/ecrystals/645 |
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| Date Created: | 23 February 2009 |
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| Deposited On: | 09 Apr 2009 10:56 |
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| Deposited By: | Dr Samantha K Callear |
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Data collection parameters
| Chemical formula | C10 H15 N3 O2 S |
| Crystal morphology | Lath |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 20.4469(13) |
| Cell length b | 5.6971(3) |
| Cell length c | 9.6808(5) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 93.743(4) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0876 |
| R Factor (All) | 0.1461 |
| Weighted R Factor (Obs) | 0.1490 |
| Weighted R Factor (All) | 0.1760 |
Citation: Spencer, John and Patel, Hiren and Callear, Samantha K. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/645)
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