Metronidazole - C6H9N3O3
Data Collection: Simon J. Colesa Structure Determination: Simon J. Colesa and Michael B. Hursthousea. University of Southamptona
C6H9N3O3 InChI=1/C6H10N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12) | Identification Number: | 10.5258/ecrystals/606 |
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| Date Created: | 26 September 2008 |
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| Deposited On: | 26 Sep 2008 18:14 |
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| Deposited By: | Dr Simon J Coles |
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Data collection parameters| Chemical formula | C6 H9 N3 O3 | | Crystal morphology | | | Crystal system | Monoclinic | | Space group symbol | P2(1)/c | | Cell length a | 6.9056(14) | | Cell length b | 8.6519(17) | | Cell length c | 12.818(3) | | Cell angle alpha | 90.00 | | Cell angle beta | 94.41(3) | | Cell angle gamma | 90.00 | | Data collection temperature | 150(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0397 | | R Factor (All) | 0.0547 | | Weighted R Factor (Obs) | 0.1010 | | Weighted R Factor (All) | 0.1099 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Maurya, M. R. and Azam, A. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/606)
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