Sample Originator: Terence L. Threlfalla.
Data Collection: Ann L. Binghama
Structure Determination: Ann L. Binghama and Thomas Gelbricha.
University of Southamptona
C9H9N3O2S2
InChI=1/2C9H10N3O2S2/c2*10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h2*1-6,11-12H,10H2
| Identification Number: | 10.5258/ecrystals/397 |
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| Date Created: | 20 January 2004 |
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| Deposited On: | 18 Apr 2008 13:53 |
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| Deposited By: | Dr Thomas Gelbrich |
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Depositor Comments
Form III of sulfathiazole;
Hydrogen atoms attached to N were refined with restrained distances [N-H = 0.88(2) Ang].
Data collection parameters
| Chemical formula | C9 H9 N3 O2 S2 |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 17.448(3) |
| Cell length b | 8.498(2) |
| Cell length c | 15.511(3) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 112.81(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0485 |
| R Factor (All) | 0.1024 |
| Weighted R Factor (Obs) | 0.0946 |
| Weighted R Factor (All) | 0.1072 |
Citation: Bingham, Ann L. and Gelbrich, Thomas and Threlfall, Terence L. and Hursthouse, Michael B. (2004) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/397)
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