Sample Originator: Ray C.F. Jonesa.
Data Collection: Peter N. Hortonb and Michael B. Hursthouseb
Structure Determination: Peter N. Hortonb.
Loughborough Universitya
University of Southamptonb
C19H19N5O2
InChI=1/C19H19N5O2/c1-22-16(25)9-19(18(22)26)15(11-21)14(10-20)17-23(7-8-24(17)19)12-13-5-3-2-4-6-13/h2-6,14-15,17H,7-9,12H2,1H3/t14-,15-,17+,19+/m0/s1
| Identification Number: | 10.5258/ecrystals/942 |
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| Controlled Keywords: | heterocycles |
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| Date Created: | 17 September 2002 |
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| Deposited On: | 24 Sep 2013 22:15 |
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| Deposited By: | Mr Steve Lamond |
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Data collection parameters
| Chemical formula | C19 H19 N5 O2 |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 15.0361(5) |
| Cell length b | 11.7861(3) |
| Cell length c | 10.4725(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 100.5280(10) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0505 |
| R Factor (Obs) | 0.0487 |
| R Factor (All) | 0.1001 |
| Weighted R Factor (Obs) | 0.1048 |
| Weighted R Factor (All) | 0.1225 |
Citation: Jones, Ray C.F. and Horton, Peter N. and Hursthouse, Michael B. (2002) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/942)
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