C~15~H~13~N~3~O~2~ - C15H13N3O2
Sample Originator: Ray Jonesa. Data Collection: Simon J. Colesb and Michael B. Hursthouseb Structure Determination: Simon J. Colesb. Loughborough Universitya
University of Southamptonb
C15H13N3O2 InChI=1/C15H13N3O2/c1-16-14-17-12-9-5-6-10-13(12)18(14)15(19)20-11-7-3-2-4-8-11/h2-10H,1H3,(H,16,17)/q-1 | Controlled Keywords: | heterocycles |
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| Date Created: | 14 December 2009 |
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| Deposited On: | 17 Dec 2009 15:27 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Commentsno hkl file. Data collection parameters| Chemical formula | C15 H13 N3 O2 | | Crystal morphology | | | Crystal system | Triclinic | | Space group symbol | P-1 | | Cell length a | 6.6845(3) | | Cell length b | 8.8858(5) | | Cell length c | 11.3118(6) | | Cell angle alpha | 103.531(2) | | Cell angle beta | 103.033(3) | | Cell angle gamma | 93.107(3) | | Data collection temperature | 120(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0408 | | R Factor (All) | 0.0630 | | Weighted R Factor (Obs) | 0.0920 | | Weighted R Factor (All) | 0.1018 |
Citation: Jones, Ray and Coles, Simon J. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1224/)
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