4-Methyl-N-pyridin-2-yl-benzamide
Sample Originator: Simon J. Coles, Terry L Threlfall, Thomas A. Mayer and Michael B. Hursthouse. C13H12N2O InChI=1/C13H12N2O/c1-10-5-7-11(8-6-10)13(16)15-12-4-2-3-9-14-12/h2-9H,1H3,(H,14,15,16)
| Identification Number: | 10.5258/ecrystals/201 |
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| Controlled Keywords: | Structural systematic, sulfonamides, sulfur drugs |
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| Date Created: | 26 October 2000 |
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| Deposited On: | 21 Jan 2008 15:28 |
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| Deposited By: | A.N. Admin |
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Data collection parameters| Chemical formula | C13 H12 N2 O | | Crystal morphology | | | Crystal system | triclinic | | Space group symbol | P-1 | | Cell length a | 5.9447(12) | | Cell length b | 7.7890(16) | | Cell length c | 12.333(3) | | Cell angle alpha | 97.75(3) | | Cell angle beta | 94.54(3) | | Cell angle gamma | 106.50(3) | | Data collection temperature | 293(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0448 | | R Factor (All) | 0.0598 | | Weighted R Factor (Obs) | 0.1128 | | Weighted R Factor (All) | 0.1244 |
Citation: Coles, Simon J. and Threlfall, Terry L and Mayer, Thomas A. and Hursthouse, Michael B. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/201)
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