Information card for entry 2009798

Structure parameters

• Chemical name: 1-methyl-2-methylthio-5-nitroimidazole
• Formula: C5 H7 N3 O2 S
• Calculated formula: C5 H7 N3 O2 S
• Title of publication: 1-Methyl-2-methylthio-5-nitroimidazole, C~5~H~7~N~3~O~2~S
• Authors of publication: Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 919 - 921
• a: 7.769 ± 0.001 Å
• b: 6.575 ± 0.001 Å
• c: 15.258 ± 0.003 Å
• α: 90°
• β: 95.49 ± 0.04°
• γ: 90°
• Cell volume: 775.8 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for significantly intense reflections: 0.9616
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No